4G2Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4g2y by Molmil](/molmil-images/mine/4g2y) | Crystal structure of PDE5A complexed with its inhibitor | Descriptor: | 2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Ren, J, Chen, T.T, Xu, Y.C. | Deposit date: | 2012-07-13 | Release date: | 2013-06-26 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5. J.Med.Chem., 55, 2012
|
|
2YQ7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2yq7 by Molmil](/molmil-images/mine/2yq7) | Structure of Bcl-xL bound to BimLOCK | Descriptor: | BCL-2-LIKE PROTEIN 1, BCL-2-LIKE PROTEIN 11, GLYCEROL | Authors: | Smith, B.J, Czabotar, P.E. | Deposit date: | 2012-11-06 | Release date: | 2012-11-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Stabilizing the Pro-Apoptotic Bimbh3 Helix (Bimsahb) Does not Necessarily Enhance Affinity or Biological Activity. Acs Chem.Biol., 8, 2013
|
|
6AJH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ajh by Molmil](/molmil-images/mine/6ajh) | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with AU1235 | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 1-(2-adamantyl)-3-[2,3,4-tris(fluoranyl)phenyl]urea, Drug exporters of the RND superfamily-like protein,Endolysin, ... | Authors: | Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H. | Deposit date: | 2018-08-27 | Release date: | 2018-12-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.818 Å) | Cite: | Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target. Cell, 176, 2019
|
|
6AJI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6aji by Molmil](/molmil-images/mine/6aji) | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with Rimonabant | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide, Drug exporters of the RND superfamily-like protein,Endolysin, ... | Authors: | Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H. | Deposit date: | 2018-08-27 | Release date: | 2018-12-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target. Cell, 176, 2019
|
|
6AJF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ajf by Molmil](/molmil-images/mine/6ajf) | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Drug exporters of the RND superfamily-like protein,Endolysin, alpha-D-glucopyranosyl 6-O-dodecyl-alpha-D-glucopyranoside | Authors: | Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H. | Deposit date: | 2018-08-27 | Release date: | 2018-12-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.698 Å) | Cite: | Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target. Cell, 176, 2019
|
|
6AJG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ajg by Molmil](/molmil-images/mine/6ajg) | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with SQ109 | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, DODECYL-BETA-D-MALTOSIDE, Drug exporters of the RND superfamily-like protein,Endolysin, ... | Authors: | Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H. | Deposit date: | 2018-08-27 | Release date: | 2018-12-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.604 Å) | Cite: | Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target. Cell, 176, 2019
|
|
6AJJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ajj by Molmil](/molmil-images/mine/6ajj) | Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with ICA38 | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 4,6-difluoro-N-(spiro[5.5]undecan-3-yl)-1H-indole-2-carboxamide, Drug exporters of the RND superfamily-like protein,Endolysin, ... | Authors: | Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H. | Deposit date: | 2018-08-27 | Release date: | 2018-12-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.794 Å) | Cite: | Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target. Cell, 176, 2019
|
|
2YQ6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2yq6 by Molmil](/molmil-images/mine/2yq6) | Structure of Bcl-xL bound to BimSAHB | Descriptor: | BCL-2-LIKE PROTEIN 1, BIM BETA 5, GLYCEROL | Authors: | Smith, B.J, Czabotar, P.E. | Deposit date: | 2012-11-06 | Release date: | 2012-11-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | Stabilizing the Pro-Apoptotic Bimbh3 Helix (Bimsahb) Does not Necessarily Enhance Affinity or Biological Activity. Acs Chem.Biol., 8, 2013
|
|
4G2W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4g2w by Molmil](/molmil-images/mine/4g2w) | Crystal structure of PDE5A in complex with its inhibitor | Descriptor: | 5,6-diethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Ren, J, Chen, T.T, Xu, Y.C. | Deposit date: | 2012-07-13 | Release date: | 2013-06-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5. J.Med.Chem., 55, 2012
|
|
8V4X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8v4x by Molmil](/molmil-images/mine/8v4x) | Structure of MALT1 in complex with an allosteric inhibitor | Descriptor: | Inhibitor peptide, Mucosa-associated lymphoid tissue lymphoma translocation protein 1, N-{7-[(1S)-1-methoxyethyl]-2-methyl[1,3]thiazolo[5,4-b]pyridin-6-yl}-N'-[6-(2H-1,2,3-triazol-2-yl)-5-(trifluoromethyl)pyridin-3-yl]urea | Authors: | Judge, R.A, Pappano, W.N. | Deposit date: | 2023-11-29 | Release date: | 2024-05-01 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.486 Å) | Cite: | Inhibition of MALT1 and BCL2 Induces Synergistic Antitumor Activity in Models of B-Cell Lymphoma. Mol.Cancer Ther., 23, 2024
|
|
7V2Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7v2z by Molmil](/molmil-images/mine/7v2z) | ZIKV NS3helicase in complex with ssRNA and ATP-Mn2+ | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Core protein, MANGANESE (II) ION, ... | Authors: | Lin, M.M, Yang, H.T. | Deposit date: | 2021-08-10 | Release date: | 2022-08-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.10101676 Å) | Cite: | Structural Basis of Zika Virus Helicase in RNA Unwinding and ATP Hydrolysis. Acs Infect Dis., 8, 2022
|
|
5YJZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5yjz by Molmil](/molmil-images/mine/5yjz) | The native crystal structure of Rv3197 from Mycobacterium tuberculosis | Descriptor: | GLYCEROL, Probable conserved ATP-binding protein ABC transporter, SULFATE ION | Authors: | Zhang, Q.Q, Rao, Z.H. | Deposit date: | 2017-10-11 | Release date: | 2018-02-07 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Discovery of the first macrolide antibiotic binding protein in Mycobacterium tuberculosis: a new antibiotic resistance drug target. Protein Cell, 9, 2018
|
|
6IZQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6izq by Molmil](/molmil-images/mine/6izq) | PRMT4 bound with a bicyclic compound | Descriptor: | (2R)-1-(methylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-ol, Histone-arginine methyltransferase CARM1 | Authors: | Xiong, B, Cao, D.Y, Guo, Z.H, Li, Y.L, Li, J, Huang, X, Shen, J.K. | Deposit date: | 2018-12-20 | Release date: | 2019-12-25 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.449 Å) | Cite: | Design and Synthesis of Potent, Selective Inhibitors of Protein Arginine Methyltransferase 4 against Acute Myeloid Leukemia. J.Med.Chem., 62, 2019
|
|
8T3P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8t3p by Molmil](/molmil-images/mine/8t3p) | |
8TNB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tnb by Molmil](/molmil-images/mine/8tnb) | |
8TNC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tnc by Molmil](/molmil-images/mine/8tnc) | |
8TN1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tn1 by Molmil](/molmil-images/mine/8tn1) | |
8TN6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tn6 by Molmil](/molmil-images/mine/8tn6) | |
8TND
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8tnd by Molmil](/molmil-images/mine/8tnd) | |
5I95
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i95 by Molmil](/molmil-images/mine/5i95) | Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase R140Q Mutant Homodimer bound to NADPH and alpha-Ketoglutaric acid | Descriptor: | 2-OXOGLUTARIC ACID, ACETATE ION, CALCIUM ION, ... | Authors: | Zhang, B, Jin, L, Wu, W, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K. | Deposit date: | 2016-02-19 | Release date: | 2017-03-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations. Cancer Discov, 7, 2017
|
|
5I96
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5i96 by Molmil](/molmil-images/mine/5i96) | Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with AG-221 (Enasidenib) Inhibitor. | Descriptor: | 2-methyl-1-[(4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]amino}-1,3,5-triazin-2-yl)amino]propan-2-ol, ACETATE ION, CALCIUM ION, ... | Authors: | Wei, W, Zhang, B, Jin, L, Jiang, F, DeLaBarre, B, Travins, J.A, Padyana, A.K. | Deposit date: | 2016-02-19 | Release date: | 2017-03-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | AG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations. Cancer Discov, 7, 2017
|
|
6P2J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p2j by Molmil](/molmil-images/mine/6p2j) | Dimeric structure of ACAT1 | Descriptor: | S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name), Sterol O-acyltransferase 1 | Authors: | Yan, N, Qian, H.W. | Deposit date: | 2019-05-21 | Release date: | 2020-05-20 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis for catalysis and substrate specificity of human ACAT1. Nature, 581, 2020
|
|
6P2P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p2p by Molmil](/molmil-images/mine/6p2p) | Tetrameric structure of ACAT1 | Descriptor: | S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name), Sterol O-acyltransferase 1 | Authors: | Yan, N, Qian, H.W. | Deposit date: | 2019-05-21 | Release date: | 2020-05-20 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis for catalysis and substrate specificity of human ACAT1. Nature, 581, 2020
|
|
7REP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rep by Molmil](/molmil-images/mine/7rep) | |
7REO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7reo by Molmil](/molmil-images/mine/7reo) | |