6AT2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6at2 by Molmil](/molmil-images/mine/6at2) | E. coli phosphoenolpyruvate carboxykinase G209N mutant bound to thiosulfate | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Tang, H.Y.H, Shin, D.S, Tainer, J.A. | Deposit date: | 2017-08-27 | Release date: | 2018-08-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.444 Å) | Cite: | Structural Control of Nonnative Ligand Binding in Engineered Mutants of Phosphoenolpyruvate Carboxykinase. Biochemistry, 57, 2018
|
|
6APO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6apo by Molmil](/molmil-images/mine/6apo) | Anti-Marburgvirus Nucleoprotein Single Domain Antibody A | Descriptor: | Anti-Marburgvirus Nucleoprotein Single Domain Antibody A | Authors: | Taylor, A.B, Garza, J.A. | Deposit date: | 2017-08-17 | Release date: | 2017-10-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.168 Å) | Cite: | Unveiling a Drift Resistant Cryptotope withinMarburgvirusNucleoprotein Recognized by Llama Single-Domain Antibodies. Front Immunol, 8, 2017
|
|
6AWE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6awe by Molmil](/molmil-images/mine/6awe) | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 2-fluoro-6-(2-pyridin-2-ylethylamino)benzonitrile | Descriptor: | 2-fluoro-6-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase | Authors: | Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G. | Deposit date: | 2017-09-05 | Release date: | 2018-09-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 2-fluoro-6-(2-pyridin-2-ylethylamino)benzonitrile To Be Published
|
|
6AWQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6awq by Molmil](/molmil-images/mine/6awq) | Anomalous chloride signal reveals the position of sertraline complexed with the serotonin transporter at the central site | Descriptor: | (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 8B6 antibody FAB heavy chain, ... | Authors: | Coleman, J.A, Gouaux, E. | Deposit date: | 2017-09-06 | Release date: | 2017-10-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (4.046 Å) | Cite: | Structural basis for recognition of diverse antidepressants by the human serotonin transporter. Nat. Struct. Mol. Biol., 25, 2018
|
|
1AV1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1av1 by Molmil](/molmil-images/mine/1av1) | |
1YT7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1yt7 by Molmil](/molmil-images/mine/1yt7) | Cathepsin K complexed with a constrained ketoamide inhibitor | Descriptor: | (1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOL-2-YL}METHYL)PROPYL (1S)-1-{OXO[(2-OXO-1,3-OXAZOLIDIN-3-YL)AMINO]ACETYL}PENTYLCARBAMATE, Cathepsin K, SULFATE ION | Authors: | Barrett, D.G, Boncek, V.M, Catalano, J.G, Deaton, D.N, Hassell, A.M, Jurgensen, C.H, Long, S.T, McFadyen, R.B, Miller, A.B, Miller, L.R, Payne, J.A, Ray, J.A, Samano, V, Shewchuk, L.M, Tavares, F.X, Wells-Knecht, K.J, Willard, D.H, Wright, L.L, Zhou, H.Q. | Deposit date: | 2005-02-10 | Release date: | 2005-07-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | P(2)-P(3) conformationally constrained ketoamide-based inhibitors of cathepsin K. Bioorg.Med.Chem.Lett., 15, 2005
|
|
1Z71
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1z71 by Molmil](/molmil-images/mine/1z71) | thrombin and P2 pyridine N-oxide inhibitor complex structure | Descriptor: | Hirudin IIIB', L17, thrombin | Authors: | Nantermet, P.G, Burgey, C.S, Robinson, K.A, Pellicore, J.M, Newton, C.L, Deng, J.Z, Lyle, T.A, Selnick, H.G, Lewis, S.D, Lucas, B.J, Krueger, J.A, Miller-Stein, C, White, R.B, Wong, B, McMasters, D.R, Wallace, A.A, Lynch Jr, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P. | Deposit date: | 2005-03-23 | Release date: | 2005-05-17 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | P(2) pyridine N-oxide thrombin inhibitors: a novel peptidomimetic scaffold BIOORG.MED.CHEM.LETT., 15, 2005
|
|
8FK3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fk3 by Molmil](/molmil-images/mine/8fk3) | |
8G0P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8g0p by Molmil](/molmil-images/mine/8g0p) | |
8G0Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8g0q by Molmil](/molmil-images/mine/8g0q) | |
8FAK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fak by Molmil](/molmil-images/mine/8fak) | DNA replication fork binding triggers structural changes in the PriA DNA helicase that regulate the PriA-PriB replication restart pathway in E. coli | Descriptor: | DNA (5'-D(P*CP*AP*GP*AP*CP*TP*CP*AP*TP*TP*TP*AP*GP*CP*CP*CP*TP*TP*AP*TP*CP*CP*G)-3'), DNA (5'-D(P*CP*GP*GP*AP*TP*AP*AP*GP*GP*GP*CP*TP*GP*AP*GP*CP*AP*CP*GP*CP*CP*GP*A)-3'), DNA (5'-D(P*TP*CP*GP*GP*CP*GP*TP*GP*CP*TP*C)-3'), ... | Authors: | Duckworth, A.T, Ducos, P.L, McMillan, S.D, Satyshur, K.A, Blumenthal, K.H, Deorio, H.R, Larson, J.A, Sandler, S.J, Grant, T, Keck, J.L. | Deposit date: | 2022-11-28 | Release date: | 2023-05-10 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.22 Å) | Cite: | Replication fork binding triggers structural changes in the PriA helicase that govern DNA replication restart in E. coli. Nat Commun, 14, 2023
|
|
8FAC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fac by Molmil](/molmil-images/mine/8fac) | |
8FEM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fem by Molmil](/molmil-images/mine/8fem) | Panicum vigratum Dihydroflavonol 4-reductase complexed with NADP | Descriptor: | Dihydroflavonol 4-Reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Lewis, J.A, Kang, C. | Deposit date: | 2022-12-06 | Release date: | 2023-09-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Structural Similarities and Overlapping Activities among Dihydroflavonol 4-Reductase, Flavanone 4-Reductase, and Anthocyanidin Reductase Offer Metabolic Flexibility in the Flavonoid Pathway. Int J Mol Sci, 24, 2023
|
|
8FEN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8fen by Molmil](/molmil-images/mine/8fen) | Panicum vigratum Dihydroflavonol 4-reductase complexed with NADP and DHQ | Descriptor: | (2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Panicum virgatum Dihydroflavonol 4-Reductase | Authors: | Lewis, J.A, Kang, C. | Deposit date: | 2022-12-06 | Release date: | 2023-09-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural Similarities and Overlapping Activities among Dihydroflavonol 4-Reductase, Flavanone 4-Reductase, and Anthocyanidin Reductase Offer Metabolic Flexibility in the Flavonoid Pathway. Int J Mol Sci, 24, 2023
|
|
7E6V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7e6v by Molmil](/molmil-images/mine/7e6v) | The crystal structure of foot-and-mouth disease virus(FMDV) 2C protein 97-318aa | Descriptor: | ACETATE ION, Protein 2C | Authors: | Zhang, C, Wojdyla, J.A, Qin, B, Wang, M, Gao, X, Cui, S. | Deposit date: | 2021-02-24 | Release date: | 2022-06-29 | Last modified: | 2022-07-20 | Method: | X-RAY DIFFRACTION (1.832 Å) | Cite: | An anti-picornaviral strategy based on the crystal structure of foot-and-mouth disease virus 2C protein. Cell Rep, 40, 2022
|
|
8FFQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ffq by Molmil](/molmil-images/mine/8ffq) | Wildtype rabbit TRPV5 into nanodiscs in the presence of PI(4,5)P2 and ruthenium red | Descriptor: | 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ERGOSTEROL, Transient receptor potential cation channel subfamily V member 5, ... | Authors: | De Jesus-Perez, J.J, Fluck, E.C, Pumroy, R.A, Protopopova, A.D, Rocereta, J.A, Moiseenkova-Bell, V.Y. | Deposit date: | 2022-12-09 | Release date: | 2024-02-07 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (2.65 Å) | Cite: | Molecular details of ruthenium red pore block in TRPV channels. Embo Rep., 25, 2024
|
|
8FFM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ffm by Molmil](/molmil-images/mine/8ffm) | Wildtype rat TRPV2 in nanodiscs bound to RR and 2-APB | Descriptor: | 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 2-aminoethyl diphenylborinate, Transient receptor potential cation channel subfamily V member 2, ... | Authors: | Pumroy, R.A, Protopopova, A.D, Rocereta, J.A, De Jesus-Perez, J.J, Fluck, E.C, Moiseenkova-Bell, V.Y. | Deposit date: | 2022-12-09 | Release date: | 2024-02-07 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Molecular details of ruthenium red pore block in TRPV channels. Embo Rep., 25, 2024
|
|
8FFL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ffl by Molmil](/molmil-images/mine/8ffl) | Wildtype rat TRPV2 in nanodiscs bound to RR | Descriptor: | 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Transient receptor potential cation channel subfamily V member 2 | Authors: | Pumroy, R.A, Protopopova, A.D, Rocereta, J.A, De Jesus-Perez, J.J, Fluck, E.C, Moiseenkova-Bell, V.Y. | Deposit date: | 2022-12-09 | Release date: | 2024-02-07 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.47 Å) | Cite: | Molecular details of ruthenium red pore block in TRPV channels. Embo Rep., 25, 2024
|
|
8FFN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ffn by Molmil](/molmil-images/mine/8ffn) | RR-bound wildtype rabbit TRPV5 in nanodiscs | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ERGOSTEROL, Transient receptor potential cation channel subfamily V member 5, ... | Authors: | Fluck, E.C, De Jesus-Perez, J.J, Pumroy, R.A, Protopopova, A.D, Rocereta, J.A, Moiseenkova-Bell, V.Y. | Deposit date: | 2022-12-09 | Release date: | 2024-02-07 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (2.96 Å) | Cite: | Molecular details of ruthenium red pore block in TRPV channels. Embo Rep., 25, 2024
|
|
2RJ4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rj4 by Molmil](/molmil-images/mine/2rj4) | B-specific alpha-1,3-galactosyltransferase G176R +UDP+ADA | Descriptor: | Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ... | Authors: | Evans, S.V, Alfaro, J.A. | Deposit date: | 2007-10-14 | Release date: | 2008-02-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | ABO(H) blood group A and B glycosyltransferases recognize substrate via specific conformational changes. J.Biol.Chem., 283, 2008
|
|
8G2E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8g2e by Molmil](/molmil-images/mine/8g2e) | PKM2 bound to compound 2 | Descriptor: | 1,2-ETHANEDIOL, 3-[(3-aminophenyl)methyl]-5-methyl-7-[methyl(oxidanyl)-$l^{3}-sulfanyl]pyridazino[4,5-b]indol-4-one, MAGNESIUM ION, ... | Authors: | Stuckey, J.A. | Deposit date: | 2023-02-03 | Release date: | 2023-05-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.838 Å) | Cite: | Development of Novel Small-Molecule Activators of Pyruvate Kinase Muscle Isozyme 2, PKM2, to Reduce Photoreceptor Apoptosis. Pharmaceuticals, 16, 2023
|
|
8SH5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8sh5 by Molmil](/molmil-images/mine/8sh5) | Crystal structure of 3'cap-independent translation enhancers (CITE) from Pea enation mosaic virus RNA 2 (PEMV2) with Fab BL3-6K170A | Descriptor: | Fab BL3-6K170A heavy chain, Fab BL3-6K170A light chain, RNA (88-MER) | Authors: | Lewicka, A, Roman, C, Rice, P.A, Piccirilli, J.A. | Deposit date: | 2023-04-13 | Release date: | 2023-08-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal structure of a cap-independent translation enhancer RNA. Nucleic Acids Res., 51, 2023
|
|
2RIX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rix by Molmil](/molmil-images/mine/2rix) | B-specific-1,3-galactosyltransferase)(GTB) + UDP | Descriptor: | GLYCEROL, Glycoprotein-fucosylgalactoside alpha-galactosyltransferase, MANGANESE (II) ION, ... | Authors: | Evans, S.V, Alfaro, J.A. | Deposit date: | 2007-10-13 | Release date: | 2008-02-05 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | ABO(H) blood group A and B glycosyltransferases recognize substrate via specific conformational changes. J.Biol.Chem., 283, 2008
|
|
2RJ9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rj9 by Molmil](/molmil-images/mine/2rj9) | |
2RJ0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2rj0 by Molmil](/molmil-images/mine/2rj0) | |