7CS5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cs5 by Molmil](/molmil-images/mine/7cs5) | IiPLR1 with NADP+ and (-)pinoresinol | Descriptor: | 4-[(3R,3aS,6R,6aS)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pinoresinol-lariciresinol reductase | Authors: | Shao, K, Zhang, P. | Deposit date: | 2020-08-14 | Release date: | 2021-06-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.18993235 Å) | Cite: | Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases. Nat Commun, 12, 2021
|
|
5HYW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hyw by Molmil](/molmil-images/mine/5hyw) | The crystal structure of the D3-ASK1 complex | Descriptor: | F-box/LRR-repeat MAX2 homolog, SKP1-like protein 1A | Authors: | Yao, R.F, Ming, Z.H, Yan, L.M, Rao, Z.H, Lou, Z.Y, Xie, D.X. | Deposit date: | 2016-02-02 | Release date: | 2016-08-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | DWARF14 is a non-canonical hormone receptor for strigolactone Nature, 536, 2016
|
|
7CSE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cse by Molmil](/molmil-images/mine/7cse) | AtPrR1 with NADP+ and (-)lariciresinol | Descriptor: | 4-[[(3S,4S,5R)-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pinoresinol reductase 1 | Authors: | Shao, K, Zhang, P. | Deposit date: | 2020-08-14 | Release date: | 2021-06-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.44019055 Å) | Cite: | Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases. Nat Commun, 12, 2021
|
|
7CS9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cs9 by Molmil](/molmil-images/mine/7cs9) | AtPrR1 in apo form | Descriptor: | Pinoresinol reductase 1 | Authors: | Shao, K, Zhang, P. | Deposit date: | 2020-08-14 | Release date: | 2021-06-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8011415 Å) | Cite: | Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases. Nat Commun, 12, 2021
|
|
7CSG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7csg by Molmil](/molmil-images/mine/7csg) | AtPrR2 in apo form | Descriptor: | Pinoresinol reductase 2 | Authors: | Shao, K, Zhang, P. | Deposit date: | 2020-08-14 | Release date: | 2021-06-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.99689388 Å) | Cite: | Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases. Nat Commun, 12, 2021
|
|
7CS4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cs4 by Molmil](/molmil-images/mine/7cs4) | IiPLR1 with NADP+ and (+)pinoresinol | Descriptor: | 4-[(3S,3aR,6S,6aR)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pinoresinol-lariciresinol reductase | Authors: | Shao, K, Zhang, P. | Deposit date: | 2020-08-14 | Release date: | 2021-06-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.30509257 Å) | Cite: | Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases. Nat Commun, 12, 2021
|
|
7CSA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7csa by Molmil](/molmil-images/mine/7csa) | AtPrR1 with NADP+ | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pinoresinol reductase 1 | Authors: | Shao, K, Zhang, P. | Deposit date: | 2020-08-14 | Release date: | 2021-06-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.96212828 Å) | Cite: | Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases. Nat Commun, 12, 2021
|
|
7CSB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7csb by Molmil](/molmil-images/mine/7csb) | AtPrR1 with NADP+ and (+)pinoresinol | Descriptor: | 4-[(3S,3aR,6S,6aR)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pinoresinol reductase 1 | Authors: | Shao, K, Zhang, P. | Deposit date: | 2020-08-14 | Release date: | 2021-06-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.002017 Å) | Cite: | Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases. Nat Commun, 12, 2021
|
|
7CSH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7csh by Molmil](/molmil-images/mine/7csh) | AtPrR2 with NADP+ and (+)pinoresinol | Descriptor: | 4-[(3S,3aR,6S,6aR)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pinoresinol reductase 2 | Authors: | Shao, K, Zhang, P. | Deposit date: | 2020-08-14 | Release date: | 2021-06-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.590775 Å) | Cite: | Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases. Nat Commun, 12, 2021
|
|
7CS7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7cs7 by Molmil](/molmil-images/mine/7cs7) | IiPLR1 with NADP+ and (+)secoisolariciresinol | Descriptor: | (2S,3S)-2,3-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]butane-1,4-diol, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pinoresinol-lariciresinol reductase | Authors: | Shao, K, Zhang, P. | Deposit date: | 2020-08-14 | Release date: | 2021-06-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.297653 Å) | Cite: | Structure-based engineering of substrate specificity for pinoresinol-lariciresinol reductases. Nat Commun, 12, 2021
|
|
6URM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6urm by Molmil](/molmil-images/mine/6urm) | Crystal structure of vaccine-elicited receptor-binding site targeting antibody LPAF-a.01 in complex with Hemagglutinin H1 A/California/04/2009 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Zhou, T, Cheung, S.F, Kwong, P.D. | Deposit date: | 2019-10-23 | Release date: | 2020-09-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Identification and Structure of a Multidonor Class of Head-Directed Influenza-Neutralizing Antibodies Reveal the Mechanism for Its Recurrent Elicitation. Cell Rep, 32, 2020
|
|
7D7S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7d7s by Molmil](/molmil-images/mine/7d7s) | |
7DE9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7de9 by Molmil](/molmil-images/mine/7de9) | |
7NWK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7nwk by Molmil](/molmil-images/mine/7nwk) | Crystal structure of CDK9-Cyclin T1 bound by compound 6 | Descriptor: | Cyclin-T1, Cyclin-dependent kinase 9, N-((1R,3R)-3-(7-(4-fluoro-2-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-yl)cyclopentyl)acetamide | Authors: | Collie, G.W, Ferguson, A.D. | Deposit date: | 2021-03-16 | Release date: | 2021-10-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Discovery of a Series of 7-Azaindoles as Potent and Highly Selective CDK9 Inhibitors for Transient Target Engagement. J.Med.Chem., 64, 2021
|
|
6P3P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p3p by Molmil](/molmil-images/mine/6p3p) | Crystal structure of Mcl-1 in complex with compound 65 | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, methyl N-(5-{[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl}-4-methylthiophene-2-carbonyl)-D-phenylalaninate | Authors: | Toms, A.V, Follows, B. | Deposit date: | 2019-05-24 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Discovery of novel biaryl sulfonamide based Mcl-1 inhibitors. Bioorg.Med.Chem.Lett., 29, 2019
|
|
5HZG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5hzg by Molmil](/molmil-images/mine/5hzg) | The crystal structure of the strigolactone-induced AtD14-D3-ASK1 complex | Descriptor: | (2Z)-2-methylbut-2-ene-1,4-diol, F-box/LRR-repeat MAX2 homolog, SKP1-like protein 1A, ... | Authors: | Yao, R.F, Ming, Z.H, Yan, L.M, Rao, Z.H, Lou, Z.Y, Xie, D.X. | Deposit date: | 2016-02-02 | Release date: | 2016-08-03 | Last modified: | 2016-08-31 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | DWARF14 is a non-canonical hormone receptor for strigolactone Nature, 536, 2016
|
|
6ONY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ony by Molmil](/molmil-images/mine/6ony) | BRD2_Bromodomain1 complex with inhibitor 744 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2, N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide | Authors: | Longenecker, K.L, Bigelow, L. | Deposit date: | 2019-04-22 | Release date: | 2020-01-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Selective inhibition of the BD2 bromodomain of BET proteins in prostate cancer. Nature, 578, 2020
|
|
7RWE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rwe by Molmil](/molmil-images/mine/7rwe) | Crystal structure of CDK2 liganded with compound GPHR787 | Descriptor: | 5-nitro-2-[(3-phenylpropyl)amino]benzoic acid, Cyclin-dependent kinase 2 | Authors: | Sun, L, Schonbrunn, E. | Deposit date: | 2021-08-19 | Release date: | 2022-08-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice. J.Med.Chem., 66, 2023
|
|
7RXO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rxo by Molmil](/molmil-images/mine/7rxo) | Crystal structure of CDK2 liganded with compound WN333 | Descriptor: | 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(methoxycarbonyl)benzoic acid, Cyclin-dependent kinase 2 | Authors: | Sun, L, Schonbrunn, E. | Deposit date: | 2021-08-23 | Release date: | 2022-08-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice. J.Med.Chem., 66, 2023
|
|
7S4T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7s4t by Molmil](/molmil-images/mine/7s4t) | Crystal structure of CDK2 liganded with compound EF2252 | Descriptor: | 1,2-ETHANEDIOL, 2-{[2-(6-chloro-1H-indol-3-yl)ethyl]amino}-5-nitrobenzoic acid, Cyclin-dependent kinase 2 | Authors: | Sun, L, Schonbrunn, E. | Deposit date: | 2021-09-09 | Release date: | 2022-09-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice. J.Med.Chem., 66, 2023
|
|
7S7A
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7s7a by Molmil](/molmil-images/mine/7s7a) | Crystal structure of CDK2 liganded with compound EF3019 | Descriptor: | 1,2-ETHANEDIOL, 2-{[2-(2H-indazol-3-yl)ethyl]amino}-5-(trifluoromethyl)benzoic acid, Cyclin-dependent kinase 2 | Authors: | Sun, L, Schonbrunn, E. | Deposit date: | 2021-09-15 | Release date: | 2022-09-28 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice. J.Med.Chem., 66, 2023
|
|
7S85
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7s85 by Molmil](/molmil-images/mine/7s85) | Crystal structure of CDK2 liganded with compound WN316 | Descriptor: | 1,2-ETHANEDIOL, 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(trifluoromethoxy)benzoic acid, Cyclin-dependent kinase 2 | Authors: | Sun, L, Schonbrunn, E. | Deposit date: | 2021-09-17 | Release date: | 2022-09-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Screening through Lead Optimization of High Affinity, Allosteric Cyclin-Dependent Kinase 2 (CDK2) Inhibitors as Male Contraceptives That Reduce Sperm Counts in Mice. J.Med.Chem., 66, 2023
|
|
8FIU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fiu by Molmil](/molmil-images/mine/8fiu) | Potent long-acting inhibitors targeting HIV-1 capsid based on a versatile quinazolin-4-one scaffold | Descriptor: | 1,2-ETHANEDIOL, HIV-1 capsid, N-[(1S)-1-{(3P)-3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-oxo-3,4-dihydroquinazolin-2-yl}-2-(3,5-difluorophenyl)ethyl]-2-[(3bS,4aR)-3-(difluoromethyl)-5,5-difluoro-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamide | Authors: | Nolte, R.T. | Deposit date: | 2022-12-16 | Release date: | 2023-02-15 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Potent Long-Acting Inhibitors Targeting the HIV-1 Capsid Based on a Versatile Quinazolin-4-one Scaffold. J.Med.Chem., 66, 2023
|
|
7YQH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7yqh by Molmil](/molmil-images/mine/7yqh) | Cryo-EM structure of 8-subunit Smc5/6 | Descriptor: | DNA repair protein KRE29, E3 SUMO-protein ligase MMS21, Non-structural maintenance of chromosome element 3, ... | Authors: | Qian, L, Jun, Z, Xiang, Z, Tong, C, Zhaoning, W, Duo, J, Zhenguo, C, Lanfeng, W. | Deposit date: | 2022-08-07 | Release date: | 2024-01-31 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (5.6 Å) | Cite: | Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms. Nat.Struct.Mol.Biol., 2024
|
|
5H24
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5h24 by Molmil](/molmil-images/mine/5h24) | EED in complex with PRC2 allosteric inhibitor compound 8 | Descriptor: | 5-(furan-2-ylmethylamino)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile, Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H. | Deposit date: | 2016-10-14 | Release date: | 2017-01-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of First-in-Class, Potent, and Orally Bioavailable Embryonic Ectoderm Development (EED) Inhibitor with Robust Anticancer Efficacy J. Med. Chem., 60, 2017
|
|