4Y8Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4y8y by Molmil](/molmil-images/mine/4y8y) | |
8EJX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ejx by Molmil](/molmil-images/mine/8ejx) | |
8GWA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8gwa by Molmil](/molmil-images/mine/8gwa) | Structure of the intact photosynthetic light-harvesting antenna-reaction center complex from a green sulfur bacterium | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene, ... | Authors: | Chen, J.H, Zhang, X. | Deposit date: | 2022-09-16 | Release date: | 2022-11-23 | Last modified: | 2023-02-15 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Cryo-electron microscopy structure of the intact photosynthetic light-harvesting antenna-reaction center complex from a green sulfur bacterium. J Integr Plant Biol, 65, 2023
|
|
6PDJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pdj by Molmil](/molmil-images/mine/6pdj) | Tyrosine-protein kinase LCK bound to Compound 11 | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, N-{4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-methylphenyl}-1-methyl-1H-indazole-3-carboxamide, NICKEL (II) ION, ... | Authors: | Critton, D.A. | Deposit date: | 2019-06-19 | Release date: | 2019-10-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Discovery of Pyridazinone and Pyrazolo[1,5-a]pyridine Inhibitors of C-Terminal Src Kinase. Acs Med.Chem.Lett., 10, 2019
|
|
5T92
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5t92 by Molmil](/molmil-images/mine/5t92) | ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH (2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methy l-1,2,3,4- tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid | Descriptor: | (2E)-3-{4-[(1R)-2-(4-fluorophenyl)-6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl}prop-2-enoic acid, Estrogen receptor | Authors: | Kirby, C, Baird, J. | Deposit date: | 2016-09-09 | Release date: | 2017-03-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ER alpha + Breast Cancer. J. Med. Chem., 60, 2017
|
|
5ZVB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zvb by Molmil](/molmil-images/mine/5zvb) | APOBEC3F Chimeric Catalytic Domain in Complex with DNA(dT9) | Descriptor: | APEBEC3F/ssDNA-T9, CACODYLATE ION, DNA (5'-D(*AP*TP*TP*TP*TP*CP*AP*AP*T)-3'), ... | Authors: | Cheng, C, Zhang, T.L, Wang, C.X, Lan, W.X, Ding, J.P, Cao, C.Y. | Deposit date: | 2018-05-09 | Release date: | 2018-11-21 | Last modified: | 2018-11-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Cytidine Deaminase Human APOBEC3F Chimeric Catalytic Domain in Complex with DNA Chin.J.Chem., 36, 2018
|
|
5ZVA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5zva by Molmil](/molmil-images/mine/5zva) | APOBEC3F Chimeric Catalytic Domain in Complex with DNA(dC9) | Descriptor: | APEBEC3F/ssDNA-C9, CACODYLATE ION, DNA (5'-D(*AP*TP*TP*TP*TP*CP*AP*AP*CP*T)-3'), ... | Authors: | Cheng, C, Zhang, T.L, Wang, C.X, Lan, W.X, Ding, J.P, Cao, C.Y. | Deposit date: | 2018-05-09 | Release date: | 2018-11-21 | Last modified: | 2018-11-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Cytidine Deaminase Human APOBEC3F Chimeric Catalytic Domain in Complex with DNA Chin.J.Chem., 36, 2018
|
|
4MC9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mc9 by Molmil](/molmil-images/mine/4mc9) | HIV protease in complex with AA74 | Descriptor: | (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Ganguly, A.K, Alluri, S.S, Wang, C, Antropow, A, White, A, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C. | Deposit date: | 2013-08-21 | Release date: | 2014-04-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis Tetrahedron, 2014
|
|
4MC1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mc1 by Molmil](/molmil-images/mine/4mc1) | HIV protease in complex with SA526P | Descriptor: | (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4S)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, Protease | Authors: | Ganguly, A.K, Alluri, S.S, Wang, C, Antropow, A, White, A, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C. | Deposit date: | 2013-08-21 | Release date: | 2014-04-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis Tetrahedron, 2014
|
|
4MC2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mc2 by Molmil](/molmil-images/mine/4mc2) | HIV protease in complex with SA525P | Descriptor: | (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4R)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, Protease | Authors: | Ganguly, A.K, Alluri, S.S, Wang, C, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C. | Deposit date: | 2013-08-21 | Release date: | 2014-04-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis Tetrahedron, 2014
|
|
4MC6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4mc6 by Molmil](/molmil-images/mine/4mc6) | HIV protease in complex with SA499 | Descriptor: | 1,2-ETHANEDIOL, 1-tert-butyl-3-{(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}urea, CHLORIDE ION, ... | Authors: | Ganguly, A.K, Alluri, S.S, Wang, C, Antropow, A, White, A, Caroccia, D, Biswas, D, Kang, E, Zhang, L, Carroll, S.S, Burlein, C, Munshi, V, Orth, P, Strickland, C. | Deposit date: | 2013-08-21 | Release date: | 2014-04-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis Tetrahedron, 2014
|
|
5XLZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xlz by Molmil](/molmil-images/mine/5xlz) | |
6B0F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6b0f by Molmil](/molmil-images/mine/6b0f) | |
8JII
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jii by Molmil](/molmil-images/mine/8jii) | Cryo-EM structure of compound 9n and niacin bound ketone body receptor HCAR2-Gi signaling complex | Descriptor: | 7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H. | Deposit date: | 2023-05-26 | Release date: | 2023-09-06 | Last modified: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (3.17 Å) | Cite: | Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation. Mol.Cell, 83, 2023
|
|
8JHY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jhy by Molmil](/molmil-images/mine/8jhy) | Cryo-EM structure of compound 9n bound ketone body receptor HCAR2-Gi signaling complex | Descriptor: | 7-methyl-N-[(2R)-1-phenoxypropan-2-yl]-3-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H. | Deposit date: | 2023-05-25 | Release date: | 2023-09-06 | Last modified: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (2.87 Å) | Cite: | Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation. Mol.Cell, 83, 2023
|
|
8JIM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jim by Molmil](/molmil-images/mine/8jim) | Cryo-EM structure of MMF bound ketone body receptor HCAR2-Gi signaling complex | Descriptor: | (2Z)-4-methoxy-4-oxobut-2-enoic acid, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H. | Deposit date: | 2023-05-26 | Release date: | 2023-09-06 | Last modified: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation. Mol.Cell, 83, 2023
|
|
5XLT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xlt by Molmil](/molmil-images/mine/5xlt) | The crystal structure of tubulin in complex with 4'-demethylepipodophyllotoxin | Descriptor: | (5S,5aR,8aR,9R)-9-(3,5-dimethoxy-4-oxidanyl-phenyl)-5-oxidanyl-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Yu, Y, Chen, Q. | Deposit date: | 2017-05-11 | Release date: | 2017-09-27 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.813 Å) | Cite: | Structure of 4'-demethylepipodophyllotoxin in complex with tubulin provides a rationale for drug design Biochem. Biophys. Res. Commun., 493, 2017
|
|
8JIL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8jil by Molmil](/molmil-images/mine/8jil) | Cryo-EM structure of niacin bound ketone body receptor HCAR2-Gi signaling complex | Descriptor: | CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Zhao, C, Tian, X.W, Liu, Y, Cheng, L, Yan, W, Shao, Z.H. | Deposit date: | 2023-05-26 | Release date: | 2023-09-06 | Last modified: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Biased allosteric activation of ketone body receptor HCAR2 suppresses inflammation. Mol.Cell, 83, 2023
|
|
5W0C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5w0c by Molmil](/molmil-images/mine/5w0c) | Cytochrome P450 (CYP) 2C9 TCA007 Inhibitor Complex | Descriptor: | Cytochrome P450 2C9, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Johnson, E.F, Hsu, M.-H. | Deposit date: | 2017-05-30 | Release date: | 2017-09-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes. Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
7CL0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cl0 by Molmil](/molmil-images/mine/7cl0) | Crystal structure of human SIRT6 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ... | Authors: | Song, K, Zhang, J. | Deposit date: | 2020-07-20 | Release date: | 2021-02-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Reply to: Binding site for MDL-801 on SIRT6. Nat.Chem.Biol., 17, 2021
|
|
7CL1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cl1 by Molmil](/molmil-images/mine/7cl1) | Human SIRT6 in complex with allosteric activator MDL-801 (3.2A) | Descriptor: | 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Song, K, Zhang, J. | Deposit date: | 2020-07-20 | Release date: | 2021-02-24 | Last modified: | 2021-05-12 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Reply to: Binding site for MDL-801 on SIRT6. Nat.Chem.Biol., 17, 2021
|
|
3RY7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ry7 by Molmil](/molmil-images/mine/3ry7) | Crystal Structure of Sa239 | Descriptor: | GLYCEROL, Ribokinase | Authors: | Li, J, Wu, M, Wang, L, Zang, J. | Deposit date: | 2011-05-11 | Release date: | 2012-04-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of Sa239 reveals the structural basis for the activation of ribokinase by monovalent cations. J.Struct.Biol., 177, 2012
|
|
5CMZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cmz by Molmil](/molmil-images/mine/5cmz) | Artificial HIV fusion inhibitor AP3 fused to the C-terminus of gp41 NHR | Descriptor: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Artificial HIV entry inhibitor AP3, ... | Authors: | Zhu, Y, Ye, S, Zhang, R. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Method: | X-RAY DIFFRACTION (2.574 Å) | Cite: | Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy. Sci Rep, 5, 2015
|
|
5CN0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cn0 by Molmil](/molmil-images/mine/5cn0) | Artificial HIV fusion inhibitor AP2 fused to the C-terminus of gp41 NHR | Descriptor: | DI(HYDROXYETHYL)ETHER, Envelope glycoprotein,AP2, MAGNESIUM ION | Authors: | Zhu, Y, Ye, S, Zhang, R. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy. Sci Rep, 5, 2015
|
|
5T97
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5t97 by Molmil](/molmil-images/mine/5t97) | ESTROGEN RECEPTOR ALPHA LIGAND BINDING DOMAIN IN COMPLEX WITH (2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2 -yl)phenyl]-1,2,3,4- tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid | Descriptor: | (2E)-3-(4-{(1R)-6-hydroxy-1-methyl-2-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}phenyl)prop-2-enoic acid, Estrogen receptor | Authors: | Kirby, C.A, Baird, J. | Deposit date: | 2016-09-09 | Release date: | 2017-03-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Discovery of an Acrylic Acid Based Tetrahydroisoquinoline as an Orally Bioavailable Selective Estrogen Receptor Degrader for ER alpha + Breast Cancer. J. Med. Chem., 60, 2017
|
|