6FAD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fad by Molmil](/molmil-images/mine/6fad) | SR protein kinase 1 (SRPK1) in complex with the RGG-box of HSV1 ICP27 | 分子名称: | PHOSPHATE ION, SRSF protein kinase 1, mRNA export factor | 著者 | Tunnicliffe, R.B, Levy, C, Mould, A.P, Mckenzie, E.A, Sandri-Goldin, R.M, Golovanov, A.P. | 登録日 | 2017-12-15 | 公開日 | 2019-09-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.801 Å) | 主引用文献 | Molecular Mechanism of SR Protein Kinase 1 Inhibition by the Herpes Virus Protein ICP27. Mbio, 10, 2019
|
|
6BET
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bet by Molmil](/molmil-images/mine/6bet) | Solution structure of de novo macrocycle design12_ss | 分子名称: | H(DPR)(DVA)CIP(DPR)E(DLY)VC(DGL) | 著者 | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | 登録日 | 2017-10-25 | 公開日 | 2017-12-27 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
|
|
6B5W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b5w by Molmil](/molmil-images/mine/6b5w) | Benenodin-1-dC5, state 2 | 分子名称: | Benenodin-1 | 著者 | Link, A.J, Zong, C. | 登録日 | 2017-09-29 | 公開日 | 2017-10-18 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Lasso Peptide Benenodin-1 Is a Thermally Actuated [1]Rotaxane Switch J. Am. Chem. Soc., 139 (30), 2017
|
|
6BF5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bf5 by Molmil](/molmil-images/mine/6bf5) | Solution structure of de novo macrocycle design7.3a | 分子名称: | QDP(DPR)K(DTH)(DAS) | 著者 | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | 登録日 | 2017-10-25 | 公開日 | 2018-01-10 | 最終更新日 | 2023-11-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
|
|
6BER
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ber by Molmil](/molmil-images/mine/6ber) | Solution structure of de novo macrocycle design10.2 | 分子名称: | E(DVA)DP(DGL)(DHI)(DPR)N(DAL)(DPR) | 著者 | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | 登録日 | 2017-10-25 | 公開日 | 2017-12-27 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
|
|
6BEO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6beo by Molmil](/molmil-images/mine/6beo) | Solution structure of de novo macrocycle design9.1 | 分子名称: | (DPR)PY(DHI)PKDL(DGN) | 著者 | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | 登録日 | 2017-10-25 | 公開日 | 2017-12-27 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
|
|
6BEQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6beq by Molmil](/molmil-images/mine/6beq) | Solution structure of de novo macrocycle design10.1 | 分子名称: | AAR(DVA)(DPR)R(DLE)(DTH)PE | 著者 | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | 登録日 | 2017-10-25 | 公開日 | 2018-01-10 | 最終更新日 | 2023-11-15 | 実験手法 | SOLUTION NMR | 主引用文献 | Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
|
|
6BE9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6be9 by Molmil](/molmil-images/mine/6be9) | Solution structure of de novo macrocycle design7.1 | 分子名称: | T(DLY)NDT(DSG)(DPR) | 著者 | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, B. | 登録日 | 2017-10-24 | 公開日 | 2017-12-27 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
|
|
6BEU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6beu by Molmil](/molmil-images/mine/6beu) | Solution structure of de novo macrocycle design14_ss | 分子名称: | (DCY)N(DVA)(DPR)DVYC(DPR)(DSG)KY(DVA)(DPR) | 著者 | Shortridge, M.D, Hosseinzadeh, P, Pardo-Avila, F, Varani, G, Baker, D. | 登録日 | 2017-10-25 | 公開日 | 2017-12-27 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Comprehensive computational design of ordered peptide macrocycles. Science, 358, 2017
|
|
6FAU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fau by Molmil](/molmil-images/mine/6fau) | Crystal structure of C-terminal modified Tau peptide-hybrid 4.2e-I with 14-3-3sigma | 分子名称: | (2~{R})-2-[(~{R})-(2-methoxyphenyl)-phenyl-methyl]pyrrolidine, 14-3-3 protein sigma, ACE-ARG-THR-PRO-SEP-LEU-PRO-GLY, ... | 著者 | Andrei, S.A, Meijer, F.A, Ottmann, C, Milroy, L.G. | 登録日 | 2017-12-18 | 公開日 | 2018-05-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Inhibition of 14-3-3/Tau by Hybrid Small-Molecule Peptides Operating via Two Different Binding Modes. ACS Chem Neurosci, 9, 2018
|
|
6FI4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fi4 by Molmil](/molmil-images/mine/6fi4) | Crystal structure of C-terminal modified Tau peptide-hybrid 3.2e with 14-3-3sigma | 分子名称: | (2~{S})-2-(diphenylmethyl)pyrrolidine, 14-3-3 protein sigma, CALCIUM ION, ... | 著者 | Andrei, S.A, Meijer, F.A, Ottmann, C, Milroy, L.G. | 登録日 | 2018-01-17 | 公開日 | 2018-05-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Inhibition of 14-3-3/Tau by Hybrid Small-Molecule Peptides Operating via Two Different Binding Modes. ACS Chem Neurosci, 9, 2018
|
|
6FGS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fgs by Molmil](/molmil-images/mine/6fgs) | Solution structure of p300Taz2-p73TA1 | 分子名称: | Histone acetyltransferase p300,Tumor protein p73, ZINC ION | 著者 | Gebel, J, Kazemi, S, Lohr, F, Guntert, P, Dotsch, V. | 登録日 | 2018-01-11 | 公開日 | 2018-05-30 | 最終更新日 | 2024-06-19 | 実験手法 | SOLUTION NMR | 主引用文献 | Regulation of the Activity in the p53 Family Depends on the Organization of the Transactivation Domain. Structure, 26, 2018
|
|
6EY3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ey3 by Molmil](/molmil-images/mine/6ey3) | |
6F3O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6f3o by Molmil](/molmil-images/mine/6f3o) | |
6CDN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cdn by Molmil](/molmil-images/mine/6cdn) | Crystal structure of cysteine-bound ferrous form of the crosslinked Cl-Tyr157 human cysteine dioxygenase | 分子名称: | CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION, ... | 著者 | Liu, A, Li, J, Shin, I. | 登録日 | 2018-02-08 | 公開日 | 2018-07-04 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.055 Å) | 主引用文献 | Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase. Nat. Chem. Biol., 14, 2018
|
|
6EYM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6eym by Molmil](/molmil-images/mine/6eym) | Neutron crystal structure of perdeuterated galectin-3C in complex with lactose | 分子名称: | Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | 著者 | Manzoni, F, Coates, L, Blakeley, M.P, Oksanen, E, Logan, D.T. | 登録日 | 2017-11-13 | 公開日 | 2018-09-12 | 最終更新日 | 2024-05-01 | 実験手法 | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | 主引用文献 | Elucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design. J. Med. Chem., 61, 2018
|
|
6F7U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6f7u by Molmil](/molmil-images/mine/6f7u) | Molecular Mechanism of ATP versus GTP Selectivity of Adenylate Kinase | 分子名称: | Adenylate kinase, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | 著者 | Rogne, P, Rosselin, M, Grundstrom, C, Hedberg, C, Wolf-Watz, M, Sauer, U.H. | 登録日 | 2017-12-12 | 公開日 | 2018-03-14 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Molecular mechanism of ATP versus GTP selectivity of adenylate kinase. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6COW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cow by Molmil](/molmil-images/mine/6cow) | CSP1 | 分子名称: | Competence-stimulating peptide type 1 | 著者 | Yang, Y. | 登録日 | 2018-03-12 | 公開日 | 2018-08-29 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural Characterization of Competence-Stimulating Peptide Analogues Reveals Key Features for ComD1 and ComD2 Receptor Binding in Streptococcus pneumoniae. Biochemistry, 57, 2018
|
|
6FAV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fav by Molmil](/molmil-images/mine/6fav) | Crystal structure of C-terminal modified Tau peptide-hybrid 4.2f-I with 14-3-3sigma | 分子名称: | (2~{R})-2-[(~{R})-(3-methoxyphenyl)-phenyl-methyl]pyrrolidine, 14-3-3 protein sigma, ACE-ARG-THR-PRO-SEP-LEU-PRO-GLY, ... | 著者 | Andrei, S.A, Meijer, F.A, Ottmann, C, Milroy, L.G. | 登録日 | 2017-12-18 | 公開日 | 2018-05-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Inhibition of 14-3-3/Tau by Hybrid Small-Molecule Peptides Operating via Two Different Binding Modes. ACS Chem Neurosci, 9, 2018
|
|
6FBY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fby by Molmil](/molmil-images/mine/6fby) | Crystal structure of C-terminal modified Tau peptide-hybrid 4.2b with 14-3-3sigma | 分子名称: | (2~{R})-2-[(~{S})-(3-methylphenyl)-phenyl-methyl]pyrrolidine, 14-3-3 protein sigma, ACE-ARG-THR-PRO-SEP-LEU-PRO-GLY, ... | 著者 | Andrei, S.A, Meijer, F.A, Ottmann, C, Milroy, L.G. | 登録日 | 2017-12-20 | 公開日 | 2018-05-16 | 最終更新日 | 2019-02-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Inhibition of 14-3-3/Tau by Hybrid Small-Molecule Peptides Operating via Two Different Binding Modes. ACS Chem Neurosci, 9, 2018
|
|
6CKQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ckq by Molmil](/molmil-images/mine/6ckq) | |
6COS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cos by Molmil](/molmil-images/mine/6cos) | CSP1-f11 | 分子名称: | Competence-stimulating peptide type 1 | 著者 | Yang, Y. | 登録日 | 2018-03-12 | 公開日 | 2018-08-29 | 最終更新日 | 2023-06-14 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural Characterization of Competence-Stimulating Peptide Analogues Reveals Key Features for ComD1 and ComD2 Receptor Binding in Streptococcus pneumoniae. Biochemistry, 57, 2018
|
|
6FI5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6fi5 by Molmil](/molmil-images/mine/6fi5) | Crystal structure of C-terminal modified Tau peptide-hybrid 3.2d with 14-3-3sigma | 分子名称: | (2~{S})-2-(diphenylmethyl)pyrrolidine, 14-3-3 protein sigma, CHLORIDE ION, ... | 著者 | Andrei, S.A, Meijer, F.A, Ottmann, C, Milroy, L.G. | 登録日 | 2018-01-17 | 公開日 | 2018-05-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Inhibition of 14-3-3/Tau by Hybrid Small-Molecule Peptides Operating via Two Different Binding Modes. ACS Chem Neurosci, 9, 2018
|
|
6CFN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cfn by Molmil](/molmil-images/mine/6cfn) | |
6CMR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cmr by Molmil](/molmil-images/mine/6cmr) | Closed structure of active SHP2 mutant E76D bound to SHP099 inhibitor | 分子名称: | 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Padua, R.A.P, Sun, Y, Marko, I, Pitsawong, W, Kern, D. | 登録日 | 2018-03-06 | 公開日 | 2018-11-14 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2. Nat Commun, 9, 2018
|
|