7DHV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dhv by Molmil](/molmil-images/mine/7dhv) | The co-crystal structure of DYRK2 with a small molecule inhibitor 8 | Descriptor: | 2,7-dimethoxy-9-(piperidin-4-ylmethylsulfanyl)acridine-4-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | Authors: | Wei, T, Xiao, J. | Deposit date: | 2020-11-17 | Release date: | 2021-11-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.679 Å) | Cite: | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry. Elife, 11, 2022
|
|
7DJO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7djo by Molmil](/molmil-images/mine/7djo) | The co-crystal structure of DYRK2 with a small molecule inhibitor 17 | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol | Authors: | Wei, T, Xiao, J. | Deposit date: | 2020-11-20 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.499 Å) | Cite: | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry. Elife, 11, 2022
|
|
7DL6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dl6 by Molmil](/molmil-images/mine/7dl6) | The co-crystal structure of DYRK2 with a small molecule inhibitor 18 | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 2, [2,7-dimethoxy-9-[[(3R)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol | Authors: | Wei, T, Xiao, J. | Deposit date: | 2020-11-26 | Release date: | 2021-12-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.648 Å) | Cite: | Selective inhibition reveals the regulatory function of DYRK2 in protein synthesis and calcium entry. Elife, 11, 2022
|
|
7CYN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cyn by Molmil](/molmil-images/mine/7cyn) | Cryo-EM structure of human TLR7 in complex with UNC93B1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Protein unc-93 homolog B1, ... | Authors: | Ohto, U, Ishida, H, Shimizu, T. | Deposit date: | 2020-09-03 | Release date: | 2021-01-06 | Last modified: | 2021-02-24 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Cryo-EM structures of Toll-like receptors in complex with UNC93B1. Nat.Struct.Mol.Biol., 28, 2021
|
|
7DTZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dtz by Molmil](/molmil-images/mine/7dtz) | FGFR4 complex with a covalent inhibitor | Descriptor: | Fibroblast growth factor receptor 4, N-[2-[[5-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]methoxy]pyrimidin-2-yl]amino]-3-methyl-phenyl]-2-fluoranyl-prop-2-enamide, SULFATE ION | Authors: | Chen, X.J, Dai, S.Y, Chen, Y.H. | Deposit date: | 2021-01-07 | Release date: | 2021-04-14 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Investigation of Covalent Warheads in the Design of 2-Aminopyrimidine-based FGFR4 Inhibitors. Acs Med.Chem.Lett., 12, 2021
|
|
7EGV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7egv by Molmil](/molmil-images/mine/7egv) | Acetolactate Synthase from Trichoderma harzianum with inhibitor harzianic acid | Descriptor: | (2S)-3-methyl-2-[[(2S,4R)-1-methyl-4-[(2E,4E)-octa-2,4-dienoyl]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]methyl]-2-oxidanyl-butanoic acid, 1,2-ETHANEDIOL, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ... | Authors: | Zang, X, Xie, L, Chen, M, Tang, Y, Zhou, J. | Deposit date: | 2021-03-26 | Release date: | 2021-06-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Harzianic Acid from Trichoderma afroharzianum Is a Natural Product Inhibitor of Acetohydroxyacid Synthase. J.Am.Chem.Soc., 2021
|
|
7EHE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ehe by Molmil](/molmil-images/mine/7ehe) | Acetolactate Synthase from Trichoderma harzianum | Descriptor: | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Acetolactate synthase, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Zang, X, Tang, Y, Zhou, J. | Deposit date: | 2021-03-29 | Release date: | 2021-06-30 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Harzianic Acid from Trichoderma afroharzianum Is a Natural Product Inhibitor of Acetohydroxyacid Synthase. J.Am.Chem.Soc., 2021
|
|
7E4Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
7E4Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
7E4R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
1Q38
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1q38 by Molmil](/molmil-images/mine/1q38) | Anastellin | Descriptor: | Fibronectin | Authors: | Briknarova, K, Akerman, M.E, Hoyt, D.W, Ruoslahti, E, Ely, K.R. | Deposit date: | 2003-07-28 | Release date: | 2003-11-04 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Anastellin, an FN3 fragment with fibronectin polymerization activity, resembles amyloid fibril precursors J.Mol.Biol., 332, 2003
|
|
7BPH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bph by Molmil](/molmil-images/mine/7bph) | |
7DXI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dxi by Molmil](/molmil-images/mine/7dxi) | |
7E5E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7e5e by Molmil](/molmil-images/mine/7e5e) | Crystal structure of GDP-bound GNAS in complex with the cyclic peptide inhibitor GD20 | Descriptor: | CHLORIDE ION, GD20, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Hu, Q, Dai, S, Shokat, K.M. | Deposit date: | 2021-02-18 | Release date: | 2022-03-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | State-selective modulation of heterotrimeric G alpha s signaling with macrocyclic peptides. Cell, 185, 2022
|
|
3IKF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ikf by Molmil](/molmil-images/mine/3ikf) | Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with FOL fragment 717, imidazo[2,,1-b][1,3]thiazol-6-ylmethanol | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ACETATE ION, CHLORIDE ION, ... | Authors: | Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2009-08-05 | Release date: | 2009-08-18 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei. J Struct Funct Genomics, 12, 2011
|
|
7DVM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7dvm by Molmil](/molmil-images/mine/7dvm) | DgkA structure in E.coli lipid bilayer | Descriptor: | Diacylglycerol kinase | Authors: | Li, J, Yang, J. | Deposit date: | 2021-01-13 | Release date: | 2022-04-13 | Last modified: | 2023-09-27 | Method: | SOLID-STATE NMR | Cite: | Structure of membrane diacylglycerol kinase in lipid bilayers. Commun Biol, 4, 2021
|
|
7BZZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bzz by Molmil](/molmil-images/mine/7bzz) | Crystal structure of the SRCR domain of mouse SCARA5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Scavenger receptor class A member 5 | Authors: | Yu, B, He, Y. | Deposit date: | 2020-04-29 | Release date: | 2020-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Interactions of ferritin with scavenger receptor class A members. J.Biol.Chem., 295, 2020
|
|
7C00
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7c00 by Molmil](/molmil-images/mine/7c00) | Crystal structure of the SRCR domain of human SCARA5. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Scavenger receptor class A member 5 | Authors: | Yu, B, He, Y. | Deposit date: | 2020-04-29 | Release date: | 2020-09-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Interactions of ferritin with scavenger receptor class A members. J.Biol.Chem., 295, 2020
|
|
7BV5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7bv5 by Molmil](/molmil-images/mine/7bv5) | Crystal structure of the yeast heterodimeric ADAT2/3 | Descriptor: | ZINC ION, tRNA-specific adenosine deaminase subunit TAD2, tRNA-specific adenosine deaminase subunit TAD3 | Authors: | Xie, W, Liu, X, Chen, R, Sun, Y, Chen, R, Zhou, J, Tian, Q. | Deposit date: | 2020-04-09 | Release date: | 2020-11-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of the yeast heterodimeric ADAT2/3 deaminase. Bmc Biol., 18, 2020
|
|
7EYA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7eya by Molmil](/molmil-images/mine/7eya) | |
7EY0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ey0 by Molmil](/molmil-images/mine/7ey0) | |
7EZV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ezv by Molmil](/molmil-images/mine/7ezv) | |
7EY4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ey4 by Molmil](/molmil-images/mine/7ey4) | Local CryoEM of the SARS-CoV-2 S6PV2 in complex with BD-667 | Descriptor: | BD-667 H, BD-667 L, Spike glycoprotein, ... | Authors: | Liu, P.L. | Deposit date: | 2021-05-29 | Release date: | 2021-09-08 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3.69 Å) | Cite: | Structures of SARS-CoV-2 B.1.351 neutralizing antibodies provide insights into cocktail design against concerning variants. Cell Res., 31, 2021
|
|
4IE0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ie0 by Molmil](/molmil-images/mine/4ie0) | Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with pyridine-2,4-dicarboxylate (2,4-PDCA) | Descriptor: | Alpha-ketoglutarate-dependent dioxygenase FTO, GLYCEROL, PYRIDINE-2,4-DICARBOXYLIC ACID, ... | Authors: | Aik, W.S, McDonough, M.A, Schofield, C.J. | Deposit date: | 2012-12-13 | Release date: | 2013-04-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Structural basis for inhibition of the fat mass and obesity associated protein (FTO) J.Med.Chem., 56, 2013
|
|
4IE5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ie5 by Molmil](/molmil-images/mine/4ie5) | Crystal structure of the human fat mass and obesity associated protein (FTO) in complex with N-[(3-hydroxypyridin-2-yl)carbonyl]glycine (MD6) | Descriptor: | Alpha-ketoglutarate-dependent dioxygenase FTO, GLYCEROL, N-[(3-hydroxypyridin-2-yl)carbonyl]glycine, ... | Authors: | Aik, W.S, McDonough, M.A, Schofield, C.J. | Deposit date: | 2012-12-13 | Release date: | 2013-04-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for inhibition of the fat mass and obesity associated protein (FTO) J.Med.Chem., 56, 2013
|
|