6BR1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6br1 by Molmil](/molmil-images/mine/6br1) | Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 4a | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[2,3-d]pyrimidine, CALCIUM ION, ... | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | Deposit date: | 2017-11-29 | Release date: | 2018-06-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.304 Å) | Cite: | Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy. J. Med. Chem., 61, 2018
|
|
6NOC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6noc by Molmil](/molmil-images/mine/6noc) | Crystal structure of FBF-2 repeat 5 mutant (C363A, R364Y) in complex with 8-nt RNA | Descriptor: | Fem-3 mRNA-binding factor 2, RNA (5'-R(*UP*GP*UP*AP*AP*AP*UP*A)-3') | Authors: | McCann, K, Wang, Y, Qiu, C, Hall, T.M.T. | Deposit date: | 2019-01-16 | Release date: | 2019-01-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.849 Å) | Cite: | Engineering a conserved RNA regulatory protein repurposes its biological function in vivo . Elife, 8, 2019
|
|
6BS2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bs2 by Molmil](/molmil-images/mine/6bs2) | Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 8b | Descriptor: | 1-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | Deposit date: | 2017-12-01 | Release date: | 2018-06-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy. J. Med. Chem., 61, 2018
|
|
6NOF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6nof by Molmil](/molmil-images/mine/6nof) | Crystal structure of FBF-2 repeat 5 mutant (C363A, R364Y, Q367S) in complex with 8-nt RNA | Descriptor: | 1,2-ETHANEDIOL, Fem-3 mRNA-binding factor 2, RNA (5'-R(*UP*GP*UP*AP*AP*AP*UP*A)-3') | Authors: | McCann, K.L, Wang, Y, Qiu, C, Hall, T.M.T. | Deposit date: | 2019-01-16 | Release date: | 2019-01-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.251 Å) | Cite: | Engineering a conserved RNA regulatory protein repurposes its biological function in vivo . Elife, 8, 2019
|
|
6NOH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6noh by Molmil](/molmil-images/mine/6noh) | Crystal structure of FBF-2 repeat 5 mutant (C363S, R364Y, Q367S) in complex with 8-nt RNA | Descriptor: | 1,2-ETHANEDIOL, Fem-3 mRNA-binding factor 2, RNA (5'-R(*UP*GP*UP*AP*AP*AP*UP*A)-3') | Authors: | McCann, K.L, Wang, Y, Qiu, C, Hall, T.M.T. | Deposit date: | 2019-01-16 | Release date: | 2019-01-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.249 Å) | Cite: | Engineering a conserved RNA regulatory protein repurposes its biological function in vivo . Elife, 8, 2019
|
|
6BRF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6brf by Molmil](/molmil-images/mine/6brf) | Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 4b | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[3,2-d]pyrimidine, CALCIUM ION, ... | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | Deposit date: | 2017-11-30 | Release date: | 2018-06-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy. J. Med. Chem., 61, 2018
|
|
6BRY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bry by Molmil](/molmil-images/mine/6bry) | Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 6a | Descriptor: | 1-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | Deposit date: | 2017-12-01 | Release date: | 2018-06-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy. J. Med. Chem., 61, 2018
|
|
8WLM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wlm by Molmil](/molmil-images/mine/8wlm) | |
8WLJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wlj by Molmil](/molmil-images/mine/8wlj) | |
8WLL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wll by Molmil](/molmil-images/mine/8wll) | Cryo-EM structure of human VMAT2 Y422C, in the presence of reserpine, determined in an inward-facing conformation | Descriptor: | Synaptic vesicular amine transporter, reserpine | Authors: | Qu, Q, Wang, Y, Zhou, Z. | Deposit date: | 2023-09-30 | Release date: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.74 Å) | Cite: | Cryo-EM structure of human VMAT2 Y422C, in the presence of reserpine, determined in an inward-facing conformation To Be Published
|
|
8WLK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8wlk by Molmil](/molmil-images/mine/8wlk) | Cryo-EM structure of human VMAT2 in presence of Tetrabenazine, determined in an outward-facing conformation | Descriptor: | (3S,5R,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one, Synaptic vesicular amine transporter | Authors: | Qu, Q, Wang, Y, Zhou, Z. | Deposit date: | 2023-09-30 | Release date: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | Cryo-EM structure of human apo VMAT2 in an outward-facing conformation To Be Published
|
|
7VND
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vnd by Molmil](/molmil-images/mine/7vnd) | Structure of the SARS-CoV-2 spike glycoprotein in complex with a human single domain antibody n3113 (UUD-state, state 2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Yang, Z, Wang, Y, Kong, Y, Jin, Y, Wu, Y, Ying, T. | Deposit date: | 2021-10-10 | Release date: | 2021-11-24 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | A non-ACE2 competing human single-domain antibody confers broad neutralization against SARS-CoV-2 and circulating variants. Signal Transduct Target Ther, 6, 2021
|
|
7VNE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vne by Molmil](/molmil-images/mine/7vne) | Structure of the SARS-CoV-2 spike glycoprotein in complex with a human single domain antibody n3113.1 (UUU-state) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yang, Z, Wang, Y, Kong, Y, Jin, Y, Wu, Y, Ying, T. | Deposit date: | 2021-10-10 | Release date: | 2021-11-24 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | A non-ACE2 competing human single-domain antibody confers broad neutralization against SARS-CoV-2 and circulating variants. Signal Transduct Target Ther, 6, 2021
|
|
7VNB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vnb by Molmil](/molmil-images/mine/7vnb) | Crystal structure of the SARS-CoV-2 RBD in complex with a human single domain antibody n3113 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, n3113 | Authors: | Yang, Z, Wang, Y, Kong, Y, Jin, Y, Wu, Y, Ying, T. | Deposit date: | 2021-10-10 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | A non-ACE2 competing human single-domain antibody confers broad neutralization against SARS-CoV-2 and circulating variants. Signal Transduct Target Ther, 6, 2021
|
|
7VNC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7vnc by Molmil](/molmil-images/mine/7vnc) | Structure of the SARS-CoV-2 spike glycoprotein in complex with a human single domain antibody n3113 (UDD-state, state 1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Yang, Z, Wang, Y, Kong, Y, Jin, Y, Wu, Y, Ying, T. | Deposit date: | 2021-10-10 | Release date: | 2021-11-24 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | A non-ACE2 competing human single-domain antibody confers broad neutralization against SARS-CoV-2 and circulating variants. Signal Transduct Target Ther, 6, 2021
|
|
8HNV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hnv by Molmil](/molmil-images/mine/8hnv) | CryoEM structure of HpaCas9-sgRNA-dsDNA in the presence of AcrIIC4 | Descriptor: | CRISPR-associated endonuclease Cas9, anti-CRISPR protein AcrIIC4, non-target strand, ... | Authors: | Sun, W, Cheng, Z, Wang, J, Yang, X, Wang, Y. | Deposit date: | 2022-12-08 | Release date: | 2023-07-19 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | AcrIIC4 inhibits type II-C Cas9 by preventing R-loop formation. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
5XI7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xi7 by Molmil](/molmil-images/mine/5xi7) | Crystal structure of T2R-TTL bound with PO-7 | Descriptor: | (6Z)-3-[[2,5-bis(fluoranyl)phenyl]methylidene]-6-[(4-tert-butyl-1H-imidazol-5-yl)methylidene]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Chu, Y, Wang, Y, Yang, J, Li, W. | Deposit date: | 2017-04-26 | Release date: | 2017-10-18 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Synthesis, biological evaluation and X-ray structure of anti-microtubule agents To Be Published
|
|
8HNS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hns by Molmil](/molmil-images/mine/8hns) | Crystal structure of an anti-CRISPR protein AcrIIC4 in apo form | Descriptor: | GLYCEROL, anti-CRISPR protein AcrIIC4 | Authors: | Sun, W, Cheng, Z, Yang, J, Wang, Y. | Deposit date: | 2022-12-08 | Release date: | 2023-07-19 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | AcrIIC4 inhibits type II-C Cas9 by preventing R-loop formation. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8HNW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hnw by Molmil](/molmil-images/mine/8hnw) | Crystal structure of HpaCas9-sgRNA surveillance complex bound to double-stranded DNA | Descriptor: | CRISPR-associated endonuclease Cas9, Non-target strand, Target strand, ... | Authors: | Sun, W, Cheng, Z, Wang, Y. | Deposit date: | 2022-12-08 | Release date: | 2023-07-19 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.41 Å) | Cite: | AcrIIC4 inhibits type II-C Cas9 by preventing R-loop formation. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
8HNT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hnt by Molmil](/molmil-images/mine/8hnt) | |
5XHC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xhc by Molmil](/molmil-images/mine/5xhc) | Crystal structure of T2R-TTL-PO10 complex | Descriptor: | (3Z,6Z)-3-[(4-tert-butyl-1H-imidazol-5-yl)methylidene]-6-[[3-(4-fluorophenyl)carbonylphenyl]methylidene]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Chu, Y, Wang, Y, Yang, J, Li, W. | Deposit date: | 2017-04-20 | Release date: | 2017-10-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Synthesis, biological evaluation and X-ray structure of anti-microtubule agents To Be Published
|
|
6GL8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gl8 by Molmil](/molmil-images/mine/6gl8) | Crystal structure of Bcl-2 in complex with the novel orally active inhibitor S55746 | Descriptor: | Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2, ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide | Authors: | Casara, P, Davidson, J, Claperon, A, Le Toumelin-Braizat, G, Vogler, M, Bruno, A, Chanrion, M, Lysiak-Auvity, G, Le Diguarher, T, Starck, J.B, Chen, I, Whitehead, N, Graham, C, Matassova, N, Dokurno, P, Pedder, C, Wang, Y, Qiu, S, Girard, A.M, Schneider, E, Grave, F, Studeny, A, Guasconi, G, Rocchetti, F, Maiga, S, Henlin, J.M, Colland, F, Kraus-Berthier, L, Le Gouill, S, Dyer, M.J.S, Hubbard, R, Wood, M, Amiot, M, Cohen, G.M, Hickman, J.A, Morris, E, Murray, J, Geneste, O. | Deposit date: | 2018-05-23 | Release date: | 2018-11-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | S55746 is a novel orally active BCL-2 selective and potent inhibitor that impairs hematological tumor growth. Oncotarget, 9, 2018
|
|
5XI5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xi5 by Molmil](/molmil-images/mine/5xi5) | Crystal structure of T2R-TTL-PO5 complex | Descriptor: | (3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Chu, Y, Wang, Y, Yang, J, Li, W. | Deposit date: | 2017-04-26 | Release date: | 2017-10-18 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Synthesis, biological evaluation and X-ray structure of anti-microtubule agents To Be Published
|
|
6GT3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gt3 by Molmil](/molmil-images/mine/6gt3) | Crystal Structure of the A2A-StaR2-bRIL562 in complex with AZD4635 at 2.0A resolution | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | Authors: | Borodovsky, A, Wang, Y, Deng, N, Ye, M, Stephen, T.L, Goodwin, K, Goodwin, R, Strittmatter, N, Shaw, J, Sachsenmeier, K, Clarke, J.D, Hay, C, Reimer, C, Andrews, S.P, Brown, G.A, Congreve, M, Cheng, R.K.Y, Dore, A.S, Mason, J.S, Marshall, F.H, Weir, M.P, Lyne, P, Woessner, R. | Deposit date: | 2018-06-15 | Release date: | 2019-06-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Small molecule AZD4635 inhibitor of A2AR signaling rescues immune cell function including CD103+ dendritic cells enhancing anti-tumor immunity J Immunother Cancer, 2020
|
|
5Z4U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5z4u by Molmil](/molmil-images/mine/5z4u) | Crystal Structure of T2R-TTL complex with 7a3 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(4-ethoxyphenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)-1H-pyrazole, CALCIUM ION, ... | Authors: | Lai, Q, Wang, Y, Yang, J, Yao, Y. | Deposit date: | 2018-01-14 | Release date: | 2019-01-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.18 Å) | Cite: | Crystal Structure of T2R-TTL complex with 7a3 To Be Published
|
|