5ZGD
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![BU of 5zgd by Molmil](/molmil-images/mine/5zgd) | hnRNPA1 reversible amyloid core GFGGNDNFG (residues 209-217) determined by X-ray | Descriptor: | GLY-PHE-GLY-GLY-ASN-ASP-ASN-PHE-GLY | Authors: | Gui, X, Xie, M, Zhao, M, Luo, F, He, J, Li, D, Liu, C. | Deposit date: | 2018-03-08 | Release date: | 2019-04-03 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.401 Å) | Cite: | Structural basis for reversible amyloids of hnRNPA1 elucidates their role in stress granule assembly. Nat Commun, 10, 2019
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1XP1
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![BU of 1xp1 by Molmil](/molmil-images/mine/1xp1) | HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 15 | Descriptor: | (2S,3R)-2-(4-{2-[(3R,4R)-3,4-DIMETHYLPYRROLIDIN-1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6- OL, Estrogen receptor | Authors: | Fitzgerald, P.M.D, Sharma, N. | Deposit date: | 2004-10-07 | Release date: | 2004-12-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers. Bioorg.Med.Chem.Lett., 15, 2005
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1XPC
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![BU of 1xpc by Molmil](/molmil-images/mine/1xpc) | |
6W51
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![BU of 6w51 by Molmil](/molmil-images/mine/6w51) | |
1XP9
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![BU of 1xp9 by Molmil](/molmil-images/mine/1xp9) | |
1XP6
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![BU of 1xp6 by Molmil](/molmil-images/mine/1xp6) | HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 16 | Descriptor: | (2S,3R)-2-(4-{2-[(3S,4S)-3,4-DIMETHYLPYRROLIDIN-1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-2,3-DIHYDRO-1,4-BENZOXATHIIN-6-OL, Estrogen receptor | Authors: | Fitzgerald, P.M.D, Sharma, N. | Deposit date: | 2004-10-08 | Release date: | 2004-12-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers. Bioorg.Med.Chem.Lett., 15, 2005
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6KG9
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![BU of 6kg9 by Molmil](/molmil-images/mine/6kg9) | Solution structure of CaDoc0917 from Clostridium acetobutylicum | Descriptor: | And cellulose-binding endoglucanase family 9 CelL ortholog dockerin domain, CALCIUM ION | Authors: | Feng, Y, Yao, X. | Deposit date: | 2019-07-11 | Release date: | 2020-07-08 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Discovery and mechanism of a pH-dependent dual-binding-site switch in the interaction of a pair of protein modules. Sci Adv, 6, 2020
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3EOT
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![BU of 3eot by Molmil](/molmil-images/mine/3eot) | |
5ZGL
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![BU of 5zgl by Molmil](/molmil-images/mine/5zgl) | hnRNP A1 segment GGGYGGS (residues 234-240) | Descriptor: | 7-mer peptide from Heterogeneous nuclear ribonucleoprotein A1 | Authors: | Xie, M, Luo, F, Gui, X, Zhao, M, He, J, Li, D, Liu, C. | Deposit date: | 2018-03-09 | Release date: | 2019-04-03 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Structural basis for reversible amyloids of hnRNPA1 elucidates their role in stress granule assembly. Nat Commun, 10, 2019
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6WFU
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![BU of 6wfu by Molmil](/molmil-images/mine/6wfu) | |
6KGF
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![BU of 6kgf by Molmil](/molmil-images/mine/6kgf) | Crystal structure of CaDoc0917(R16D)-CaCohA2 complex at pH 8.2 | Descriptor: | And cellulose-binding endoglucanase family 9 CelL ortholog dockerin domain, CALCIUM ION, Probably cellulosomal scaffolding protein, ... | Authors: | Feng, Y, Yao, X. | Deposit date: | 2019-07-11 | Release date: | 2020-07-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery and mechanism of a pH-dependent dual-binding-site switch in the interaction of a pair of protein modules. Sci Adv, 6, 2020
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6WS5
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![BU of 6ws5 by Molmil](/molmil-images/mine/6ws5) | Rational drug design of phenazopyridine derivatives as novel inhibitors of Rev1-CT | Descriptor: | 3-[(Z)-(2,3-difluorophenyl)diazenyl]pyridine-2,6-diamine, DNA polymerase zeta catalytic subunit, DNA repair protein REV1, ... | Authors: | McPherson, K.S, Korzhnev, D.M. | Deposit date: | 2020-04-30 | Release date: | 2020-12-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.472 Å) | Cite: | Structure-Based Drug Design of Phenazopyridine Derivatives as Inhibitors of Rev1 Interactions in Translesion Synthesis. Chemmedchem, 16, 2021
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7E4Z
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![BU of 7e4z by Molmil](/molmil-images/mine/7e4z) | Crystal structure of tubulin in complex with Maytansinol | Descriptor: | (1R,2S,3S,5S,6S,16E,18E,20R,21S)-11-chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaene-8,23-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wang, Y, Li, W. | Deposit date: | 2021-02-16 | Release date: | 2021-07-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | C3 ester side chain plays a pivotal role in the antitumor activity of Maytansinoids. Biochem.Biophys.Res.Commun., 566, 2021
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7E4Q
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![BU of 7e4q by Molmil](/molmil-images/mine/7e4q) | Crystal structure of tubulin in complex with L-DM1-SMe | Descriptor: | (1S,2R,3R,5R,6R,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-(methyldisulfanyl)propanoyl]amino}propanoate (non-preferred name), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wang, Y, Li, W. | Deposit date: | 2021-02-14 | Release date: | 2021-07-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | C3 ester side chain plays a pivotal role in the antitumor activity of Maytansinoids. Biochem.Biophys.Res.Commun., 566, 2021
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7E4R
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![BU of 7e4r by Molmil](/molmil-images/mine/7e4r) | Crystal structure of tubulin in complex with D-DM1-SMe | Descriptor: | (10E,12E)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-methyl-N-(3-(methylsulfinothioyl)propanoyl)-D-alaninate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wang, Y, Li, W. | Deposit date: | 2021-02-15 | Release date: | 2021-07-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.597 Å) | Cite: | C3 ester side chain plays a pivotal role in the antitumor activity of Maytansinoids. Biochem.Biophys.Res.Commun., 566, 2021
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1XCA
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![BU of 1xca by Molmil](/molmil-images/mine/1xca) | APO-CELLULAR RETINOIC ACID BINDING PROTEIN II | Descriptor: | CELLULAR RETINOIC ACID BINDING PROTEIN TYPE II | Authors: | Chen, X, Ji, X. | Deposit date: | 1996-12-31 | Release date: | 1998-07-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of apo-cellular retinoic acid-binding protein type II (R111M) suggests a mechanism of ligand entry. J.Mol.Biol., 278, 1998
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3E01
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![BU of 3e01 by Molmil](/molmil-images/mine/3e01) | HIV-RT with non-nucleoside inhibitor annulated pyrazole 2 | Descriptor: | 3-[2-bromo-4-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile, Gag-Pol polyprotein | Authors: | Harris, S.F, Villasenor, A. | Deposit date: | 2008-07-30 | Release date: | 2008-11-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Design of annulated pyrazoles as inhibitors of HIV-1 reverse transcriptase J.Med.Chem., 51, 2008
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3GZ9
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![BU of 3gz9 by Molmil](/molmil-images/mine/3gz9) | Crystal Structure of Peroxisome Proliferator-Activated Receptor Delta (PPARd) in Complex with a Full Agonist | Descriptor: | (2,3-dimethyl-4-{[2-(prop-2-yn-1-yloxy)-4-{[4-(trifluoromethyl)phenoxy]methyl}phenyl]sulfanyl}phenoxy)acetic acid, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside | Authors: | Wang, Z, Sudom, A, Walker, N.P. | Deposit date: | 2009-04-06 | Release date: | 2009-06-30 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of a PPARdelta agonist with partial agonistic activity on PPARgamma. Bioorg.Med.Chem.Lett., 19, 2009
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7XWX
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![BU of 7xwx by Molmil](/molmil-images/mine/7xwx) | Crystal structure of SARS-CoV-2 N-CTD | Descriptor: | Nucleoprotein, PHOSPHATE ION | Authors: | Luan, X.D, Li, X.M, Li, Y.F. | Deposit date: | 2022-05-27 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Antiviral drug design based on structural insights into the N-terminal domain and C-terminal domain of the SARS-CoV-2 nucleocapsid protein. Sci Bull (Beijing), 67, 2022
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7XX1
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![BU of 7xx1 by Molmil](/molmil-images/mine/7xx1) | Crystal structure of SARS-CoV-2 N-NTD | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nucleoprotein, ZINC ION | Authors: | Luan, X.D, Li, X.M, Li, Y.F. | Deposit date: | 2022-05-27 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Antiviral drug design based on structural insights into the N-terminal domain and C-terminal domain of the SARS-CoV-2 nucleocapsid protein. Sci Bull (Beijing), 67, 2022
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7XWZ
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![BU of 7xwz by Molmil](/molmil-images/mine/7xwz) | Crystal structure of SARS-CoV-2 N-NTD and dsRNA complex | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Nucleoprotein, ... | Authors: | Luan, X.D, Li, X.M, Li, Y.F. | Deposit date: | 2022-05-27 | Release date: | 2023-02-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Antiviral drug design based on structural insights into the N-terminal domain and C-terminal domain of the SARS-CoV-2 nucleocapsid protein. Sci Bull (Beijing), 67, 2022
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6KGC
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![BU of 6kgc by Molmil](/molmil-images/mine/6kgc) | Crystal structure of CaDoc0917(R49D)-CaCohA2 complex at pH 5.4 | Descriptor: | And cellulose-binding endoglucanase family 9 CelL ortholog dockerin domain, CALCIUM ION, Probably cellulosomal scaffolding protein, ... | Authors: | Feng, Y, Yao, X. | Deposit date: | 2019-07-11 | Release date: | 2020-07-08 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery and mechanism of a pH-dependent dual-binding-site switch in the interaction of a pair of protein modules. Sci Adv, 6, 2020
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3H0A
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![BU of 3h0a by Molmil](/molmil-images/mine/3h0a) | Crystal Structure of Peroxisome Proliferator-Activated Receptor Gamma (PPARg) and Retinoic Acid Receptor Alpha (RXRa) in Complex with 9-cis Retinoic Acid, Co-activator Peptide, and a Partial Agonist | Descriptor: | 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethenyl]benzoic acid, Nuclear receptor coactivator 1, Co-activator Peptide, ... | Authors: | Wang, Z, Sudom, A, Walker, N.P. | Deposit date: | 2009-04-08 | Release date: | 2009-06-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of a PPARdelta agonist with partial agonistic activity on PPARgamma. Bioorg.Med.Chem.Lett., 19, 2009
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5X5O
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![BU of 5x5o by Molmil](/molmil-images/mine/5x5o) | Crystal structure of ZAK in complex with compound D2829 | Descriptor: | Mitogen-activated protein kinase kinase kinase MLT, N-[2,4-bis(fluoranyl)-3-[2-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]phenyl]-3-bromanyl-benzenesulfonamide | Authors: | Dai, Y.B, Zhao, P, Yun, C.H. | Deposit date: | 2017-02-17 | Release date: | 2017-12-27 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.868 Å) | Cite: | Structure Based Design of N-(3-((1H-Pyrazolo[3,4-b]pyridin-5-yl)ethynyl)benzenesulfonamides as Selective Leucine-Zipper and Sterile-alpha Motif Kinase (ZAK) Inhibitors. J. Med. Chem., 60, 2017
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2MUN
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![BU of 2mun by Molmil](/molmil-images/mine/2mun) | |