7B65
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7b65 by Molmil](/molmil-images/mine/7b65) | Structure of NUDT15 R139C Mutant in complex with TH7755 | Descriptor: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, Nucleotide triphosphate diphosphatase NUDT15 | Authors: | Rehling, D, Stenmark, P. | Deposit date: | 2020-12-07 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity. J.Biol.Chem., 296, 2021
|
|
5MY2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5my2 by Molmil](/molmil-images/mine/5my2) | |
7B63
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7b63 by Molmil](/molmil-images/mine/7b63) | Structure of NUDT15 in complex with TH7755 | Descriptor: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, MAGNESIUM ION, Probable 8-oxo-dGTP diphosphatase NUDT15 | Authors: | Rehling, D, Stenmark, P. | Deposit date: | 2020-12-07 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity. J.Biol.Chem., 296, 2021
|
|
6SPH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sph by Molmil](/molmil-images/mine/6sph) | A4V MUTANT OF HUMAN SUPEROXIDE DISMUTASE 1 WITH EBSELEN BOND IN C2 SPACE GROUP | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, N-phenyl-2-selanylbenzamide, ... | Authors: | Shahid, M, Chantadul, V, Amporndanai, K, Wright, G, Antonyuk, S, Hasnain, S. | Deposit date: | 2019-09-01 | Release date: | 2020-03-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Ebselen as template for stabilization of A4V mutant dimer for motor neuron disease therapy. Commun Biol, 3, 2020
|
|
7B66
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7b66 by Molmil](/molmil-images/mine/7b66) | Structure of NUDT15 R139H Mutant in complex with TH7755 | Descriptor: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, Nucleotide triphosphate diphosphatase NUDT15 | Authors: | Rehling, D, Stenmark, P. | Deposit date: | 2020-12-07 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity. J.Biol.Chem., 296, 2021
|
|
5MSE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mse by Molmil](/molmil-images/mine/5mse) | GFP nuclear transport receptor mimic 3B8 | Descriptor: | Green fluorescent protein, IMIDAZOLE, SODIUM ION | Authors: | Huyton, T, Gorlich, D. | Deposit date: | 2017-01-04 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Surface Properties Determining Passage Rates of Proteins through Nuclear Pores. Cell, 174, 2018
|
|
5MSM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5msm by Molmil](/molmil-images/mine/5msm) | Structure of the Dcc1-Ctf8-Ctf18C Trimer | Descriptor: | Chromosome transmission fidelity protein 18, Chromosome transmission fidelity protein 8, Sister chromatid cohesion protein DCC1 | Authors: | Wade, B.O, Singleton, M.R. | Deposit date: | 2017-01-05 | Release date: | 2017-02-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structural studies of RFC(C)(tf18) reveal a novel chromatin recruitment role for Dcc1. EMBO Rep., 18, 2017
|
|
7AY2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ay2 by Molmil](/molmil-images/mine/7ay2) | Crystal structure of truncated USP1-UAF1 reacted with ubiquitin-prg | Descriptor: | Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 1, WD repeat-containing protein 48, ... | Authors: | Arkinson, C, Rennie, M.L, Walden, H. | Deposit date: | 2020-11-10 | Release date: | 2021-03-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis of FANCD2 deubiquitination by USP1-UAF1. Nat.Struct.Mol.Biol., 28, 2021
|
|
7AVI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7avi by Molmil](/molmil-images/mine/7avi) | Crystal structure of SOS1 in complex with compound 2 | Descriptor: | 3-propan-2-yl-~{N}-[(1~{R})-1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide, Son of sevenless homolog 1 | Authors: | Bader, G, Kessler, D, Wolkerstorfer, B. | Deposit date: | 2020-11-05 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS. J.Med.Chem., 64, 2021
|
|
7AVS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7avs by Molmil](/molmil-images/mine/7avs) | Crystal structure of SOS1 in complex with compound 6 | Descriptor: | 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine, IMIDAZOLE, Son of sevenless homolog 1 | Authors: | Bader, G, Kessler, D, Wolkerstorfer, B. | Deposit date: | 2020-11-06 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS. J.Med.Chem., 64, 2021
|
|
7AVT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7avt by Molmil](/molmil-images/mine/7avt) | Crystal structure of SOS1 in complex with compound 7 | Descriptor: | IMIDAZOLE, Son of sevenless homolog 1, ~{N}-[(1~{R})-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine | Authors: | Bader, G, Kessler, D, Wolkerstorfer, B. | Deposit date: | 2020-11-06 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS. J.Med.Chem., 64, 2021
|
|
7B64
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7b64 by Molmil](/molmil-images/mine/7b64) | Structure of NUDT15 V18I Mutant in complex with TH7755 | Descriptor: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one, Nucleotide triphosphate diphosphatase NUDT15 | Authors: | Rehling, D, Stenmark, P. | Deposit date: | 2020-12-07 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structures of NUDT15 variants enabled by a potent inhibitor reveal the structural basis for thiopurine sensitivity. J.Biol.Chem., 296, 2021
|
|
7AVV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7avv by Molmil](/molmil-images/mine/7avv) | Crystal structure of SOS1 in complex with compound 9 | Descriptor: | IMIDAZOLE, Son of sevenless homolog 1, ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-quinazolin-4-amine | Authors: | Bader, G, Kessler, D, Wolkerstorfer, B. | Deposit date: | 2020-11-06 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS. J.Med.Chem., 64, 2021
|
|
7AVU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7avu by Molmil](/molmil-images/mine/7avu) | Crystal structure of SOS1 in complex with compound 8 | Descriptor: | IMIDAZOLE, Son of sevenless homolog 1, ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine | Authors: | Bader, G, Kessler, D, Wolkerstorfer, B. | Deposit date: | 2020-11-06 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS. J.Med.Chem., 64, 2021
|
|
6SQT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sqt by Molmil](/molmil-images/mine/6sqt) | |
5MT9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mt9 by Molmil](/molmil-images/mine/5mt9) | Human insulin in complex with serotonin and arginine | Descriptor: | ARGININE, CHLORIDE ION, Insulin, ... | Authors: | Brzozowski, A.M, Turkenburg, J.P, Jiracek, J, Zakova, L. | Deposit date: | 2017-01-07 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Computational and structural evidence for neurotransmitter-mediated modulation of the oligomeric states of human insulin in storage granules. J. Biol. Chem., 292, 2017
|
|
6SUY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6suy by Molmil](/molmil-images/mine/6suy) | |
7AVL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7avl by Molmil](/molmil-images/mine/7avl) | Crystal structure of SOS1 in complex with compound 4 | Descriptor: | 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine, IMIDAZOLE, Son of sevenless homolog 1 | Authors: | Bader, G, Kessler, D, Wolkerstorfer, B. | Deposit date: | 2020-11-05 | Release date: | 2021-03-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.718 Å) | Cite: | One Atom Makes All the Difference: Getting a Foot in the Door between SOS1 and KRAS. J.Med.Chem., 64, 2021
|
|
6SQZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6sqz by Molmil](/molmil-images/mine/6sqz) | Mouse dCTPase in complex with dCMPNPP | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, MAGNESIUM ION, dCTP pyrophosphatase 1 | Authors: | Scaletti, E.R, Claesson, M, Helleday, H, Jemth, A.S, Stenmark, P. | Deposit date: | 2019-09-04 | Release date: | 2020-01-29 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The First Structure of an Active Mammalian dCTPase and its Complexes With Substrate Analogs and Products. J.Mol.Biol., 432, 2020
|
|
5MUL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mul by Molmil](/molmil-images/mine/5mul) | Glycoside Hydrolase BT3686 bound to Glucuronic Acid | Descriptor: | Neuraminidase, beta-D-glucopyranuronic acid | Authors: | Munoz-Munoz, J, Cartmell, A, Terrapon, N, Henrissat, B, Gilbert, H.J. | Deposit date: | 2017-01-13 | Release date: | 2017-04-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Unusual active site location and catalytic apparatus in a glycoside hydrolase family. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
7AMT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7amt by Molmil](/molmil-images/mine/7amt) | Structure of LuxR with DNA (activation) | Descriptor: | DNA (5'-D(P*AP*TP*AP*AP*TP*GP*AP*CP*AP*TP*TP*AP*CP*TP*GP*TP*AP*TP*AP*TP*A)-3'), DNA (5'-D(P*TP*AP*TP*AP*TP*AP*CP*AP*GP*TP*AP*AP*TP*GP*TP*CP*AP*TP*TP*AP*T)-3'), HTH-type transcriptional regulator LuxR | Authors: | Liu, B, Reverter, D. | Deposit date: | 2020-10-09 | Release date: | 2021-03-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Binding site profiles and N-terminal minor groove interactions of the master quorum-sensing regulator LuxR enable flexible control of gene activation and repression. Nucleic Acids Res., 49, 2021
|
|
5MU0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mu0 by Molmil](/molmil-images/mine/5mu0) | ACC1 Fab fragment in complex with citrullinated C1 epitope of CII (IA03) | Descriptor: | IA03 peptide containing the citrullinated C1 epitope of collagen type II,Collagen alpha-1(II) chain,IA03 peptide containing the citrullinated C1 epitope of collagen type II, heavy chain of ACC1 antibody Fab fragment, light chain of ACC1 antibody Fab fragment | Authors: | Dobritzsch, D, Holmdahl, R, Ge, C. | Deposit date: | 2017-01-11 | Release date: | 2017-07-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Anti-citrullinated protein antibodies cause arthritis by cross-reactivity to joint cartilage. JCI Insight, 2, 2017
|
|
5MVQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mvq by Molmil](/molmil-images/mine/5mvq) | Crystal structure of an unmodified, self-complementary dodecamer. | Descriptor: | DNA, MAGNESIUM ION | Authors: | Hardwick, J.S, Ptchelkine, D, Phillips, S.E.V, Brown, T. | Deposit date: | 2017-01-17 | Release date: | 2017-05-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.604 Å) | Cite: | 5-Formylcytosine does not change the global structure of DNA. Nat. Struct. Mol. Biol., 24, 2017
|
|
7AL2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7al2 by Molmil](/molmil-images/mine/7al2) | |
6SSI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ssi by Molmil](/molmil-images/mine/6ssi) | Structure of the pentameric ligand-gated ion channel ELIC in complex with a PAM nanobody | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, CALCIUM ION, ... | Authors: | Ulens, C, Brams, M, Evans, G.L, Spurny, R, Govaerts, C, Pardon, E, Steyaert, J. | Deposit date: | 2019-09-07 | Release date: | 2020-02-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Modulation of the Erwinia ligand-gated ion channel (ELIC) and the 5-HT 3 receptor via a common vestibule site. Elife, 9, 2020
|
|