5Q16
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![BU of 5q16 by Molmil](/molmil-images/mine/5q16) | Ligand binding to FARNESOID-X-RECEPTOR | Descriptor: | (2S)-2-{2-[(4-chloro-2-methylphenoxy)methyl]-6-fluoro-1H-benzimidazol-1-yl}-N,2-dicyclohexylacetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-05-31 | Release date: | 2017-07-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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5Q19
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![BU of 5q19 by Molmil](/molmil-images/mine/5q19) | Ligand binding to FARNESOID-X-RECEPTOR | Descriptor: | (2S)-N,2-dicyclohexyl-2-[2-(2,4-dimethoxyphenyl)-1H-benzimidazol-1-yl]acetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-05-31 | Release date: | 2017-07-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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5Q0K
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![BU of 5q0k by Molmil](/molmil-images/mine/5q0k) | Ligand binding to FARNESOID-X-RECEPTOR | Descriptor: | Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-05-31 | Release date: | 2017-07-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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5Q0V
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![BU of 5q0v by Molmil](/molmil-images/mine/5q0v) | Ligand binding to FARNESOID-X-RECEPTOR | Descriptor: | (2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexyl-N-(2-fluorophenyl)acetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-05-31 | Release date: | 2017-07-05 | Last modified: | 2021-11-17 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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5Q1A
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![BU of 5q1a by Molmil](/molmil-images/mine/5q1a) | Ligand binding to FARNESOID-X-RECEPTOR | Descriptor: | (2S)-2-cyclohexyl-2-[2-(2,4-dimethoxyphenyl)-1H-benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-05-31 | Release date: | 2017-07-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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5Q0R
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![BU of 5q0r by Molmil](/molmil-images/mine/5q0r) | Ligand binding to FARNESOID-X-RECEPTOR | Descriptor: | Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, N,1-dibenzyl-6-[(2-fluorophenyl)sulfonyl]-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-05-31 | Release date: | 2017-07-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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5Q0Z
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![BU of 5q0z by Molmil](/molmil-images/mine/5q0z) | Ligand binding to FARNESOID-X-RECEPTOR | Descriptor: | Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3, ethyl (5S)-3-(3,4-difluorobenzene-1-carbonyl)-1,1-dimethyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-05-31 | Release date: | 2017-07-05 | Last modified: | 2021-11-17 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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5Q1I
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![BU of 5q1i by Molmil](/molmil-images/mine/5q1i) | Ligand binding to FARNESOID-X-RECEPTOR | Descriptor: | 3-(2-chlorophenyl)-N-[(1R)-1-(naphthalen-2-yl)ethyl]-5-(propan-2-yl)-1,2-oxazole-4-carboxamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-05-31 | Release date: | 2017-07-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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6VYJ
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![BU of 6vyj by Molmil](/molmil-images/mine/6vyj) | Human UHRF1 TTD domain in complex with a fragment | Descriptor: | 2,4-dimethylpyridine, E3 ubiquitin-protein ligase UHRF1, beta-D-glucopyranose | Authors: | Campbell, J.C, Chang, L, Young, D.W. | Deposit date: | 2020-02-26 | Release date: | 2021-01-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Discovery of small molecules targeting the tandem tudor domain of the epigenetic factor UHRF1 using fragment-based ligand discovery. Sci Rep, 11, 2021
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6W92
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![BU of 6w92 by Molmil](/molmil-images/mine/6w92) | Human UHRF1 TTD domain | Descriptor: | E3 ubiquitin-protein ligase UHRF1 | Authors: | Campbell, J.C, Chang, L, Sankaran, B, Young, D.W. | Deposit date: | 2020-03-21 | Release date: | 2021-02-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Discovery of small molecules targeting the tandem tudor domain of the epigenetic factor UHRF1 using fragment-based ligand discovery. Sci Rep, 11, 2021
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8IW4
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![BU of 8iw4 by Molmil](/molmil-images/mine/8iw4) | Cryo-EM structure of the SPE-bound mTAAR9-Gs complex | Descriptor: | 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K. | Deposit date: | 2023-03-29 | Release date: | 2023-05-31 | Last modified: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | Structural basis of amine odorant perception by a mammal olfactory receptor. Nature, 618, 2023
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8IW9
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![BU of 8iw9 by Molmil](/molmil-images/mine/8iw9) | Cryo-EM structure of the CAD-bound mTAAR9-Gs complex | Descriptor: | 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K. | Deposit date: | 2023-03-29 | Release date: | 2023-05-31 | Last modified: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (3.08 Å) | Cite: | Structural basis of amine odorant perception by a mammal olfactory receptor. Nature, 618, 2023
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8IW7
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![BU of 8iw7 by Molmil](/molmil-images/mine/8iw7) | Cryo-EM structure of the PEA-bound mTAAR9-Gs complex | Descriptor: | 2-PHENYLETHYLAMINE, 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: | Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K. | Deposit date: | 2023-03-29 | Release date: | 2023-05-31 | Last modified: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (2.97 Å) | Cite: | Structural basis of amine odorant perception by a mammal olfactory receptor. Nature, 618, 2023
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8ITF
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![BU of 8itf by Molmil](/molmil-images/mine/8itf) | Cryo-EM structure of the DMCHA-bound mTAAR9-Gs complex | Descriptor: | 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, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K. | Deposit date: | 2023-03-22 | Release date: | 2023-05-31 | Last modified: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Structural basis of amine odorant perception by a mammal olfactory receptor. Nature, 618, 2023
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8IWE
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![BU of 8iwe by Molmil](/molmil-images/mine/8iwe) | Cryo-EM structure of the SPE-mTAAR9 complex | Descriptor: | SPERMIDINE, Trace amine-associated receptor 9 | Authors: | Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K. | Deposit date: | 2023-03-29 | Release date: | 2023-05-31 | Last modified: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis of amine odorant perception by a mammal olfactory receptor. Nature, 618, 2023
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8IWM
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![BU of 8iwm by Molmil](/molmil-images/mine/8iwm) | Cryo-EM structure of the PEA-bound mTAAR9 complex | Descriptor: | 2-PHENYLETHYLAMINE, Trace amine-associated receptor 9 | Authors: | Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K. | Deposit date: | 2023-03-30 | Release date: | 2023-05-31 | Last modified: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (3.17 Å) | Cite: | Structural basis of amine odorant perception by a mammal olfactory receptor. Nature, 618, 2023
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8IW1
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![BU of 8iw1 by Molmil](/molmil-images/mine/8iw1) | Cryo-EM structure of the PEA-bound mTAAR9-Golf complex | Descriptor: | 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, Guanine nucleotide-binding protein G(i) subunit alpha-1,Guanine nucleotide-binding protein G(olf) subunit alpha, ... | Authors: | Sun, J.P, Li, Q, Yang, F, Xu, Y.F, Guo, L.L, Lian, S, Zhang, M.H, Rong, N.K. | Deposit date: | 2023-03-29 | Release date: | 2023-05-31 | Last modified: | 2023-06-14 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis of amine odorant perception by a mammal olfactory receptor. Nature, 618, 2023
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5YJ6
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![BU of 5yj6 by Molmil](/molmil-images/mine/5yj6) | The exoglucanase CelS from Clostridium thermocellum | Descriptor: | 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol, Dockerin type I repeat-containing protein | Authors: | Liu, Y.J, Liu, S.Y, Dong, S, Li, R.M, Feng, Y.G, Cui, Q. | Deposit date: | 2017-10-09 | Release date: | 2018-01-31 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Determination of the native features of the exoglucanase Cel48S from Clostridium thermocellum Biotechnol Biofuels, 11, 2018
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6ZJF
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![BU of 6zjf by Molmil](/molmil-images/mine/6zjf) | Crystal structure of STK17B (DRAK2) in complex with AP-229 | Descriptor: | 1,2-ETHANEDIOL, 2-[6-(4-cyclopropylphenyl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid, Serine/threonine-protein kinase 17B | Authors: | Chaikuad, A, Picado, A, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-06-28 | Release date: | 2020-07-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation. J.Med.Chem., 63, 2020
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5CGP
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![BU of 5cgp by Molmil](/molmil-images/mine/5cgp) | |
5CFW
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![BU of 5cfw by Molmil](/molmil-images/mine/5cfw) | |
7AKG
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![BU of 7akg by Molmil](/molmil-images/mine/7akg) | |
8IL3
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![BU of 8il3 by Molmil](/molmil-images/mine/8il3) | Cryo-EM structure of CD38 in complex with FTL004 | Descriptor: | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1, Heavy chain, Light chain | Authors: | Yang, J, Wang, Y, Zhang, G. | Deposit date: | 2023-03-01 | Release date: | 2023-03-29 | Method: | ELECTRON MICROSCOPY (3.86 Å) | Cite: | FTL004, an anti-CD38 mAb with negligible RBC binding and enhanced pro-apoptotic activity, is a novel candidate for treatments of multiple myeloma and non-Hodgkin lymphoma. J Hematol Oncol, 15, 2022
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8IFG
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![BU of 8ifg by Molmil](/molmil-images/mine/8ifg) | Cryo-EM structure of the Clr6S (Clr6-HDAC) complex from S. pombe | Descriptor: | Chromatin modification-related protein eaf3, Cph1, Cph2, ... | Authors: | Zhang, H.Q, Wang, X, Wang, Y.N, Liu, S.M, Zhang, Y, Xu, K, Ji, L.T, Kornberg, R.D. | Deposit date: | 2023-02-17 | Release date: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Class I histone deacetylase complex: Structure and functional correlates. Proc Natl Acad Sci U S A, 120, 2023
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8BAY
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![BU of 8bay by Molmil](/molmil-images/mine/8bay) | Crystal Structure of IDH1 variant R132C S280F in complex with NADPH, Ca2+ and 3-butyl-2-oxoglutarate | Descriptor: | (R)-3-butyl-2-oxopentanedioic acid, (S)-3-butyl-2-oxopentanedioic acid, CALCIUM ION, ... | Authors: | Rabe, P, Schofield, C.J, Reinbold, R, Brewitz, L. | Deposit date: | 2022-10-12 | Release date: | 2022-11-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Natural and synthetic 2-oxoglutarate derivatives are substrates for oncogenic variants of human isocitrate dehydrogenase 1 and 2. J.Biol.Chem., 299, 2023
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