2OAQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2oaq by Molmil](/molmil-images/mine/2oaq) | |
7PSG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7psg by Molmil](/molmil-images/mine/7psg) | Structure of the ligand binding domain of the PacA (ECA2226) chemoreceptor of Pectobacterium atrosepticum SCRI1043 in complex with betaine. | Descriptor: | GLYCEROL, Methyl-accepting chemotaxis protein, TRIMETHYL GLYCINE | Authors: | Gavira, J.A, Matilla, M.A, Velando, F, Krell, T. | Deposit date: | 2021-09-23 | Release date: | 2022-05-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Chemotaxis of the Human Pathogen Pseudomonas aeruginosa to the Neurotransmitter Acetylcholine. Mbio, 13, 2022
|
|
2O1F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2o1f by Molmil](/molmil-images/mine/2o1f) | |
7QZR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7qzr by Molmil](/molmil-images/mine/7qzr) | |
2OD8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2od8 by Molmil](/molmil-images/mine/2od8) | Structure of a peptide derived from Cdc9 bound to PCNA | Descriptor: | DNA ligase I, mitochondrial precursor, Proliferating cell nuclear antigen | Authors: | Chapados, B.R, Tainer, J.A. | Deposit date: | 2006-12-21 | Release date: | 2007-05-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The C-terminal domain of yeast PCNA is required for physical and functional interactions with Cdc9 DNA ligase. Nucleic Acids Res., 35, 2007
|
|
7R9V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7r9v by Molmil](/molmil-images/mine/7r9v) | Structure of PIK3CA with covalent inhibitor 19 | Descriptor: | N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Burke, J.E, McPhail, J.A. | Deposit date: | 2021-06-29 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.69 Å) | Cite: | Covalent Proximity Scanning of a Distal Cysteine to Target PI3K alpha. J.Am.Chem.Soc., 144, 2022
|
|
7R9Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7r9y by Molmil](/molmil-images/mine/7r9y) | Structure of PIK3CA with covalent inhibitor 22 | Descriptor: | N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-N-methyl-1-(prop-2-enoyl)piperidine-4-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | Authors: | Burke, J.E, McPhail, J.A. | Deposit date: | 2021-06-29 | Release date: | 2022-04-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Covalent Proximity Scanning of a Distal Cysteine to Target PI3K alpha. J.Am.Chem.Soc., 144, 2022
|
|
7R51
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7r51 by Molmil](/molmil-images/mine/7r51) | Structure of P. gingivalis DPP11 in complex with the dipeptide Arg-Asp | Descriptor: | ARG-ASP, Asp/Glu-specific dipeptidyl-peptidase | Authors: | Tham, C.T, Coker, J.A, Foster, W.R, Ohara-Nemoto, Y, Nemoto, T.K, Yue, W.W, Bountra, C, Bezerra, G.A. | Deposit date: | 2022-02-09 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.808 Å) | Cite: | Structure of P. gingivalis DPP11 in complex with the dipeptide Arg-Asp To Be Published
|
|
7RMI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rmi by Molmil](/molmil-images/mine/7rmi) | SP6-11 biased agonist bound to active human neurokinin 1 receptor in complex with miniGs/q70 | 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: | Harris, J.A, Faust, B, Gondin, A.B, Daemgen, M.A, Suomivuori, C.M, Veldhuis, N.A, Cheng, Y, Dror, R.O, Thal, D, Manglik, A. | Deposit date: | 2021-07-27 | Release date: | 2021-11-03 | Last modified: | 2022-01-05 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Selective G protein signaling driven by substance P-neurokinin receptor dynamics. Nat.Chem.Biol., 18, 2022
|
|
7RMG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rmg by Molmil](/molmil-images/mine/7rmg) | Substance P bound to active human neurokinin 1 receptor in complex with miniGs/q70 | 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: | Harris, J.A, Faust, B, Gondin, A.B, Daemgen, M.A, Suomivuori, C.M, Veldhuis, N.A, Cheng, Y, Dror, R.O, Thal, D, Manglik, A. | Deposit date: | 2021-07-27 | Release date: | 2021-11-03 | Last modified: | 2022-01-05 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Selective G protein signaling driven by substance P-neurokinin receptor dynamics. Nat.Chem.Biol., 18, 2022
|
|
2Q1L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2q1l by Molmil](/molmil-images/mine/2q1l) | Design and Synthesis of Pyrrole-based, Hepatoselective HMG-CoA Reductase Inhibitors | Descriptor: | (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase | Authors: | Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C. | Deposit date: | 2007-05-24 | Release date: | 2007-07-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Design and synthesis of hepatoselective, pyrrole-based HMG-CoA reductase inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
|
|
7RMH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rmh by Molmil](/molmil-images/mine/7rmh) | Substance P bound to active human neurokinin 1 receptor in complex with miniGs399 | 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: | Harris, J.A, Faust, B, Gondin, A.B, Daemgen, M.A, Suomivuori, C.M, Veldhuis, N.A, Cheng, Y, Dror, R.O, Thal, D, Manglik, A. | Deposit date: | 2021-07-27 | Release date: | 2021-11-03 | Last modified: | 2022-01-05 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Selective G protein signaling driven by substance P-neurokinin receptor dynamics. Nat.Chem.Biol., 18, 2022
|
|
2PGV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2pgv by Molmil](/molmil-images/mine/2pgv) | GTB C209A | Descriptor: | Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, MERCURY (II) ION | Authors: | Letts, J.A, Schuman, B. | Deposit date: | 2007-04-10 | Release date: | 2007-07-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | The effect of heavy atoms on the conformation of the active-site polypeptide loop in human ABO(H) blood-group glycosyltransferase B. Acta Crystallogr.,Sect.D, 63, 2007
|
|
2ONC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2onc by Molmil](/molmil-images/mine/2onc) | Crystal structure of human DPP-4 | Descriptor: | 2-({2-[(3R)-3-AMINOPIPERIDIN-1-YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Feng, J, Zhang, Z, Wallace, M.B, Stafford, J.A, Kaldor, S.W, Kassel, D.B, Navre, M, Shi, L, Skene, R.J, Asakawa, T, Takeuchi, K, Xu, R, Webb, D.R, Gwaltney, S.L. | Deposit date: | 2007-01-23 | Release date: | 2008-03-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery of alogliptin: a potent, selective, bioavailable, and efficacious inhibitor of dipeptidyl peptidase IV. J.Med.Chem., 50, 2007
|
|
7R0T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7r0t by Molmil](/molmil-images/mine/7r0t) | Crystal structure of exonuclease ExnV1 | Descriptor: | CHLORIDE ION, Exonuclease ExnV1, MAGNESIUM ION, ... | Authors: | Welin, M, Svensson, A, Hakansson, M, Al-Karadaghi, S, Jasilionis, A, Linares-Pasten, J.A, Wang, L, Nordberg Karlsson, E, Ahlqvist, J. | Deposit date: | 2022-02-02 | Release date: | 2022-11-02 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.194 Å) | Cite: | Crystal structure of DNA polymerase I from Thermus phage G20c. Acta Crystallogr D Struct Biol, 78, 2022
|
|
7R0K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7r0k by Molmil](/molmil-images/mine/7r0k) | Crystal structure of Polymerase I from phage G20c | Descriptor: | DNA polymerase I | Authors: | Welin, M, Svensson, A, Hakansson, M, Al-Karadaghi, S, Linares-Pasten, J.A, Jasilionis, A, Nordberg Karlsson, E, Ahlqvist, J. | Deposit date: | 2022-02-02 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.972 Å) | Cite: | Crystal structure of DNA polymerase I from Thermus phage G20c. Acta Crystallogr D Struct Biol, 78, 2022
|
|
2OIF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2oif by Molmil](/molmil-images/mine/2oif) | |
7RRN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7rrn by Molmil](/molmil-images/mine/7rrn) | |
2PGY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2pgy by Molmil](/molmil-images/mine/2pgy) | GTB C209A, no Hg | Descriptor: | Glycoprotein-fucosylgalactoside alpha-galactosyltransferase | Authors: | Letts, J.A, Schuman, B. | Deposit date: | 2007-04-10 | Release date: | 2007-07-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | The effect of heavy atoms on the conformation of the active-site polypeptide loop in human ABO(H) blood-group glycosyltransferase B. Acta Crystallogr.,Sect.D, 63, 2007
|
|
2PUR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2pur by Molmil](/molmil-images/mine/2pur) | Structure of dihydrodipicolinate synthase mutant Thr44Ser at 1.7 A. | Descriptor: | Dihydrodipicolinate synthase, GLYCEROL, PHOSPHATE ION, ... | Authors: | Dobson, R.C.J, Jameson, G.B, Gerrard, J.A. | Deposit date: | 2007-05-09 | Release date: | 2008-05-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Specificity versus catalytic potency: The role of threonine 44 in Escherichia coli dihydrodipicolinate synthase mediated catalysis. Biochimie, 91, 2009
|
|
2P8B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2p8b by Molmil](/molmil-images/mine/2p8b) | Crystal structure of N-succinyl Arg/Lys racemase from Bacillus cereus ATCC 14579 complexed with N-succinyl Lys. | Descriptor: | MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme family protein, N-SUCCINYL LYSINE | Authors: | Fedorov, A.A, Song, L, Fedorov, E.V, Gerlt, J.A, Almo, S.C. | Deposit date: | 2007-03-22 | Release date: | 2007-07-03 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Prediction and assignment of function for a divergent N-succinyl amino acid racemase. Nat.Chem.Biol., 3, 2007
|
|
2POG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2pog by Molmil](/molmil-images/mine/2pog) | Benzopyrans as Selective Estrogen Receptor b Agonists (SERBAs). Part 2: Structure Activity Relationship Studies on the Benzopyran Scaffold. | Descriptor: | (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-9-OL, Estrogen receptor | Authors: | Richardson, T.I, Norman, B.H, Lugar, C.W, Jones, S.A, Wang, Y, Durbin, J.D, Krishnan, V, Dodge, J.A. | Deposit date: | 2007-04-26 | Release date: | 2007-09-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 2: structure-activity relationship studies on the benzopyran scaffold. Bioorg.Med.Chem.Lett., 17, 2007
|
|
2Q6C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2q6c by Molmil](/molmil-images/mine/2q6c) | Design and synthesis of novel, conformationally restricted HMG-COA reductase inhibitors | Descriptor: | (3R,5R)-7-[1-(4-FLUOROPHENYL)-3-ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO-3H-PYRROLO[2,3-C]QUINOLIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION | Authors: | Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C. | Deposit date: | 2007-06-04 | Release date: | 2007-07-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and synthesis of novel, conformationally restricted HMG-CoA reductase inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
|
|
2P5K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2p5k by Molmil](/molmil-images/mine/2p5k) | Crystal structure of the N-terminal domain of AhrC | Descriptor: | Arginine repressor | Authors: | Garnett, J.A, Baumberg, S, Stockley, P.G, Phillips, S.E.V. | Deposit date: | 2007-03-15 | Release date: | 2007-10-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | A high-resolution structure of the DNA-binding domain of AhrC, the arginine repressor/activator protein from Bacillus subtilis. Acta Crystallogr.,Sect.F, 63, 2007
|
|
2Q6J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2q6j by Molmil](/molmil-images/mine/2q6j) | Crystal Structure of Estrogen Receptor alpha Complexed to a B-N Substituted Ligand | Descriptor: | 4-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOL, Estrogen receptor, GRIP peptide | Authors: | Zhou, H, Nettles, K.W, Bruning, J.B, Kim, Y, Joachimiak, A, Sharma, S, Carlson, K.E, Stossi, F, Katzenellenbogen, B.S, Greene, G.L, Katzenellenbogen, J.A. | Deposit date: | 2007-06-05 | Release date: | 2007-06-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Elemental isomerism: a boron-nitrogen surrogate for a carbon-carbon double bond increases the chemical diversity of estrogen receptor ligands Chem.Biol., 14, 2007
|
|