7L97
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![BU of 7l97 by Molmil](/molmil-images/mine/7l97) | Crystal structure of STAMBPL1 in complex with an engineered binder | Descriptor: | 1,2-ETHANEDIOL, AMSH-like protease, SULFATE ION, ... | Authors: | Guo, Y, Dong, A, Hou, F, Li, Y, Zhang, W, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2021-01-02 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural and functional characterization of ubiquitin variant inhibitors for the JAMM-family deubiquitinases STAMBP and STAMBPL1. J.Biol.Chem., 297, 2021
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4RNG
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![BU of 4rng by Molmil](/molmil-images/mine/4rng) | Crystal structure of a bacterial homologue of SWEET transporters | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, MtN3/saliva family, SULFATE ION | Authors: | Hu, Q, Wang, J, Yan, C, Yan, N. | Deposit date: | 2014-10-24 | Release date: | 2014-11-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of a bacterial homologue of SWEET transporters. Cell Res., 24, 2014
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7V3Z
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![BU of 7v3z by Molmil](/molmil-images/mine/7v3z) | Structure of cannabinoid receptor type 1(CB1) | Descriptor: | 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, CHOLESTEROL, FLAVIN MONONUCLEOTIDE, ... | Authors: | Liu, Z.J, Shen, L, Hua, T, Yao, D.Q, Wu, L.J. | Deposit date: | 2021-08-12 | Release date: | 2021-11-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | A Genetically Encoded F-19 NMR Probe Reveals the Allosteric Modulation Mechanism of Cannabinoid Receptor 1. J.Am.Chem.Soc., 143, 2021
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6U0D
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![BU of 6u0d by Molmil](/molmil-images/mine/6u0d) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor ZL0590 | Descriptor: | Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, N-[4-({(2S)-2-[(morpholin-4-yl)methyl]pyrrolidin-1-yl}sulfonyl)phenyl]-N'-[4-(trifluoromethyl)phenyl]urea | Authors: | Leonard, P.G, Joseph, S. | Deposit date: | 2019-08-14 | Release date: | 2020-08-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Discovery, X-ray Crystallography, and Anti-inflammatory Activity of Bromodomain-containing Protein 4 (BRD4) BD1 Inhibitors Targeting a Distinct New Binding Site J. Med. Chem., 2022
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8X61
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![BU of 8x61 by Molmil](/molmil-images/mine/8x61) | Cryo-EM structure of ATP-bound FtsE(E163Q)X | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell division ATP-binding protein FtsE, Cell division protein FtsX | Authors: | Zhang, Z.Y, Chen, Y.T. | Deposit date: | 2023-11-20 | Release date: | 2024-05-08 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.05 Å) | Cite: | Structure and activity of the septal peptidoglycan hydrolysis machinery crucial for bacterial cell division. Plos Biol., 22, 2024
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8RD7
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![BU of 8rd7 by Molmil](/molmil-images/mine/8rd7) | HUWE1 WWE domain in complex with ADP-ribose | Descriptor: | ACETATE ION, CHLORIDE ION, E3 ubiquitin-protein ligase HUWE1, ... | Authors: | Muenzker, L, Zak, K.M, Boettcher, J. | Deposit date: | 2023-12-07 | Release date: | 2024-07-31 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | A ligand discovery toolbox for the WWE domain family of human E3 ligases. Commun Biol, 7, 2024
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8R5N
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![BU of 8r5n by Molmil](/molmil-images/mine/8r5n) | DTX1 WWE domain in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, E3 ubiquitin-protein ligase DTX1 | Authors: | Muenzker, L, Zak, K.M, Boettcher, J. | Deposit date: | 2023-11-17 | Release date: | 2024-07-31 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.812 Å) | Cite: | A ligand discovery toolbox for the WWE domain family of human E3 ligases. Commun Biol, 7, 2024
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8R6A
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![BU of 8r6a by Molmil](/molmil-images/mine/8r6a) | |
8R6B
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![BU of 8r6b by Molmil](/molmil-images/mine/8r6b) | |
8R7O
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![BU of 8r7o by Molmil](/molmil-images/mine/8r7o) | HUWE1 WWE domain in complex with 2'F-ATP | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase HUWE1, SODIUM ION, ... | Authors: | Muenzker, L, Boettcher, J. | Deposit date: | 2023-11-27 | Release date: | 2024-07-31 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | A ligand discovery toolbox for the WWE domain family of human E3 ligases. Commun Biol, 7, 2024
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8RD1
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![BU of 8rd1 by Molmil](/molmil-images/mine/8rd1) | HUWE1 WWE domain in complex with compound 4 | Descriptor: | 2-(2-hydroxy-2-oxoethyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid, CHLORIDE ION, E3 ubiquitin-protein ligase HUWE1 | Authors: | Muenzker, L, Zak, K.M, Boettcher, J. | Deposit date: | 2023-12-07 | Release date: | 2024-07-31 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.896 Å) | Cite: | A ligand discovery toolbox for the WWE domain family of human E3 ligases. Commun Biol, 7, 2024
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8RD0
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![BU of 8rd0 by Molmil](/molmil-images/mine/8rd0) | HUWE1 WWE domain in complex with compound 3 | Descriptor: | (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid, CHLORIDE ION, E3 ubiquitin-protein ligase HUWE1 | Authors: | Muenzker, L, Boettcher, J. | Deposit date: | 2023-12-07 | Release date: | 2024-07-31 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.765 Å) | Cite: | A ligand discovery toolbox for the WWE domain family of human E3 ligases. Commun Biol, 7, 2024
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6KZI
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![BU of 6kzi by Molmil](/molmil-images/mine/6kzi) | Crystal structure of Ser/Thr kinase Pim1 in complex with thioridazine derivatives | Descriptor: | 4-(2-chloro-10H-phenoxazin-10-yl)-N,N-diethylbutan-1-amine, Serine/threonine-protein kinase pim-1 | Authors: | Zhang, W, Wan, X, Li, W, Xie, Y, Huang, N. | Deposit date: | 2019-09-24 | Release date: | 2020-03-04 | Last modified: | 2021-03-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J.Chem.Inf.Model., 60, 2020
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6O6F
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![BU of 6o6f by Molmil](/molmil-images/mine/6o6f) | Co-crystal structure of Mcl1 with inhibitor | Descriptor: | (3S)-5'-chloro-5-(cyclobutylmethyl)-2',3',4,5-tetrahydro-2H-spiro[1,5-benzoxazepine-3,1'-indene]-7-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Huang, X. | Deposit date: | 2019-03-06 | Release date: | 2019-05-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies. Cancer Discov, 8, 2018
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6UKB
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![BU of 6ukb by Molmil](/molmil-images/mine/6ukb) | Crystal structure of human GAC in complex with inhibitor UPGL00012 | Descriptor: | Glutaminase kidney isoform, mitochondrial, N-[5-(4-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]oxy}piperidin-1-yl)-1,3,4-thiadiazol-2-yl]acetamide | Authors: | Huang, Q, Cerione, R.A. | Deposit date: | 2019-10-04 | Release date: | 2020-10-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of human GAC in complex with inhibitor UPGL00020 To Be Published
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6SZ3
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![BU of 6sz3 by Molmil](/molmil-images/mine/6sz3) | Crystal structure of YTHDC1 with fragment 4 (DHU_DC1_158) | Descriptor: | SULFATE ION, YTH domain-containing protein 1, ~{N}-methyl-5,6,7,8-tetrahydroquinolin-4-amine | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-01 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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6T03
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![BU of 6t03 by Molmil](/molmil-images/mine/6t03) | Crystal structure of YTHDC1 with fragment 16 (DHU_DC1_017) | Descriptor: | 1,3-dihydroimidazole-2-thione, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-02 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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6SZ7
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![BU of 6sz7 by Molmil](/molmil-images/mine/6sz7) | Crystal structure of YTHDC1 with fragment 5 (DHU_DC1_066) | Descriptor: | 5,6,7,8-tetrahydro-4~{a}~{H}-quinazoline-2,4-dione, SULFATE ION, YTH domain-containing protein 1 | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-02 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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6SZR
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![BU of 6szr by Molmil](/molmil-images/mine/6szr) | Crystal structure of YTHDC1 with fragment 9 (DHU_DC1_107) | Descriptor: | 6-[[methyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione, SULFATE ION, YTH domain-containing protein 1 | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-02 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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6SZX
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![BU of 6szx by Molmil](/molmil-images/mine/6szx) | Crystal structure of YTHDC1 with fragment 11 (DHU_DC1_128) | Descriptor: | 6-[[cyclopropyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-02 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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6T06
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![BU of 6t06 by Molmil](/molmil-images/mine/6t06) | Crystal structure of YTHDC1 with fragment 19 (DHU_DC1_045) | Descriptor: | 3-imidazolidin-2-yl-2~{H}-indazole, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-02 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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6T0C
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![BU of 6t0c by Molmil](/molmil-images/mine/6t0c) | Crystal structure of YTHDC1 with fragment 26 (DHU_DC1_198) | Descriptor: | SULFATE ION, YTHDC1, ~{N}-methyl-2~{H}-indazole-3-carboxamide | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-02 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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4L02
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![BU of 4l02 by Molmil](/molmil-images/mine/4l02) | Crystal Structure of SphK1 with inhibitor | Descriptor: | (2R,4S)-1-[2-(4-{[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino}phenyl)ethyl]-2-(hydroxymethyl)piperidin-4-ol, Sphingosine kinase 1 | Authors: | Min, X, Walker, N, Wang, Z. | Deposit date: | 2013-05-30 | Release date: | 2013-07-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure guided design of a series of sphingosine kinase (SphK) inhibitors. Bioorg.Med.Chem.Lett., 23, 2013
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6SZ8
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![BU of 6sz8 by Molmil](/molmil-images/mine/6sz8) | Crystal structure of YTHDC1 with fragment 6 (DHU_DC1_034) | Descriptor: | 6-pyrrolidin-1-yl-5~{H}-pyrimidine-2,4-dione, SULFATE ION, YTH domain-containing protein 1 | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-02 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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6SZN
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![BU of 6szn by Molmil](/molmil-images/mine/6szn) | Crystal structure of YTHDC1 with fragment 8 (DHU_DC1_006) | Descriptor: | N-carbamoylbenzamide, SULFATE ION, YTH domain-containing protein 1 | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-02 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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