7P7B
 
 | | SARS-CoV-2 spike protein in complex with sybody no68 in a 1up/2down conformation | | Descriptor: | Spike glycoprotein | | Authors: | Walter, J.D, Hutter, C.A.J, Garaeva, A.A, Scherer, M, Zimmermann, I, Wyss, M, Rheinberger, J, Ruedin, Y, Earp, J.C, Egloff, P, Sorgenfrei, M, Huerlimann, L.M, Gonda, I, Meier, G, Remm, S, Thavarasah, S, Zimmer, G, Slotboom, D.J, Paulino, C, Plattet, P, Seeger, M.A. | | Deposit date: | 2021-07-19 | | Release date: | 2021-08-04 | | Last modified: | 2022-04-20 | | Method: | ELECTRON MICROSCOPY (3.13 Å) | | Cite: | Biparatopic sybodies neutralize SARS-CoV-2 variants of concern and mitigate drug resistance.
Embo Rep., 23, 2022
|
|
1A1R
 | | HCV NS3 PROTEASE DOMAIN:NS4A PEPTIDE COMPLEX | | Descriptor: | NS3 PROTEIN, NS4A PROTEIN, ZINC ION | | Authors: | Kim, J.L, Morgenstern, K.A, Lin, C, Fox, T, Dwyer, M.D, Landro, J.A, Chambers, S.P, Markland, W, Lepre, C.A, O'Malley, E.T, Harbeson, S.L, Rice, C.M, Murcko, M.A, Caron, P.R, Thomson, J.A. | | Deposit date: | 1997-12-15 | | Release date: | 1998-06-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the hepatitis C virus NS3 protease domain complexed with a synthetic NS4A cofactor peptide.
Cell(Cambridge,Mass.), 87, 1996
|
|
6WL7
 | | Cryo-EM of Form 2 like peptide filament, 29-20-2 | | Descriptor: | peptide 29-20-2 | | Authors: | Wang, F, Gnewou, O.M, Modlin, C, Egelman, E.H, Conticello, V.P. | | Deposit date: | 2020-04-18 | | Release date: | 2020-12-02 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural analysis of cross alpha-helical nanotubes provides insight into the designability of filamentous peptide nanomaterials.
Nat Commun, 12, 2021
|
|
6WL1
 | | Cryo-EM of Form 1 related peptide filament, 36-31-3 | | Descriptor: | peptide 36-31-3 | | Authors: | Wang, F, Gnewou, O.M, Modlin, C, Egelman, E.H, Conticello, V.P. | | Deposit date: | 2020-04-17 | | Release date: | 2020-12-02 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structural analysis of cross alpha-helical nanotubes provides insight into the designability of filamentous peptide nanomaterials.
Nat Commun, 12, 2021
|
|
6XIW
 | | Cryo-EM structure of the sodium leak channel NALCN-FAM155A complex | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kschonsak, M, Chua, H.C, Noland, C.L, Weidling, C, Clairfeuille, T, Bahlke, O.O, Ameen, A.O, Li, Z.R, Arthur, C.P, Ciferri, C, Pless, S.A, Payandeh, J. | | Deposit date: | 2020-06-22 | | Release date: | 2020-07-29 | | Last modified: | 2020-11-25 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structure of the human sodium leak channel NALCN.
Nature, 587, 2020
|
|
1A1V
 | | HEPATITIS C VIRUS NS3 HELICASE DOMAIN COMPLEXED WITH SINGLE STRANDED SDNA | | Descriptor: | DNA (5'-D(*UP*UP*UP*UP*UP*UP*UP*U)-3'), PROTEIN (NS3 PROTEIN), SULFATE ION | | Authors: | Kim, J.L, Morgenstern, K.A, Griffith, J.P, Dwyer, M.D, Thomson, J.A, Murcko, M.A, Lin, C, Caron, P.R. | | Deposit date: | 1997-12-17 | | Release date: | 1999-01-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Hepatitis C virus NS3 RNA helicase domain with a bound oligonucleotide: the crystal structure provides insights into the mode of unwinding.
Structure, 6, 1998
|
|
6FSE
 | | Mus musculus acetylcholinesterase in complex with 1-(4-(4-Ethylpiperazin-1-yl)piperidin-1-yl)-2-((4'-methoxy-[1,1'-biphenyl]-4-yl)oxy)ethanone dihydrochloride (15) | | Descriptor: | 1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone, 2-(2-METHOXYETHOXY)ETHANOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, ... | | Authors: | Knutsson, S, Engdahl, C, Kumari, R, Kindahl, T, Forsgren, N, Lindgren, C, Kitur, S, Kamau, L, Ekstrom, F, Linusson, A. | | Deposit date: | 2018-02-19 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Noncovalent Inhibitors of Mosquito Acetylcholinesterase 1 with Resistance-Breaking Potency.
J.Med.Chem., 61, 2018
|
|
6FSD
 | | Mus musculus acetylcholinesterase in complex with 2-(4-Biphenylyloxy)-N-[3-(1-piperidinyl)propyl]-acetamide hydrochloride (10) | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 2-(4-phenylphenoxy)-~{N}-(3-piperidin-1-ylpropyl)ethanamide, ... | | Authors: | Knutsson, S, Engdahl, C, Kumari, R, Kindahl, T, Forsgren, N, Lindgren, C, Kitur, S, Kamau, L, Ekstrom, F, Linusson, A. | | Deposit date: | 2018-02-19 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Noncovalent Inhibitors of Mosquito Acetylcholinesterase 1 with Resistance-Breaking Potency.
J.Med.Chem., 61, 2018
|
|
6WQ4
 | | Carbonic Anhydrase II Complexed with 2-((2-Cyanoethyl)(phenethyl)amino)-N-phenethyl-N-(4-sulfamoylphenethyl)acetamide | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R. | | Deposit date: | 2020-04-28 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action.
J.Med.Chem., 63, 2020
|
|
6WQ5
 | | Carbonic Anhydrase II Complexed with 2-((3-Aminopropyl)(phenethyl)amino)-N-(furan-2-ylmethyl)-N-(4-sulfamoylphenethyl)acetamide | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N~2~-(3-aminopropyl)-N-[(furan-2-yl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ... | | Authors: | Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R. | | Deposit date: | 2020-04-28 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.304 Å) | | Cite: | Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action.
J.Med.Chem., 63, 2020
|
|
6WQ9
 | | Carbonic Anhydrase II Complexed with 3-((2-((Naphthalen-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R. | | Deposit date: | 2020-04-28 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.305 Å) | | Cite: | Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action.
J.Med.Chem., 63, 2020
|
|
6WQ8
 | | Carbonic Anhydrase II Complexed with 3-((2-((Furan-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R. | | Deposit date: | 2020-04-28 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.405 Å) | | Cite: | Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action.
J.Med.Chem., 63, 2020
|
|
6WQ7
 | | Carbonic Anhydrase II Complexed with 2-((3-Aminopropyl)(phenethyl)amino)-N-(4-fluorobenzyl)-N-(4-sulfamoylphenethyl)acetamide | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, N~2~-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-N~2~-(2-phenylethyl)-N-[2-(4-sulfamoylphenyl)ethyl]glycinamide, ... | | Authors: | Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R. | | Deposit date: | 2020-04-28 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.304 Å) | | Cite: | Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action.
J.Med.Chem., 63, 2020
|
|
6GCT
 | | cryo-EM structure of the human neutral amino acid transporter ASCT2 | | Descriptor: | GLUTAMINE, Neutral amino acid transporter B(0) | | Authors: | Garaeva, A.A, Oostergetel, G.T, Gati, C, Guskov, A, Paulino, C, Slotboom, D.J. | | Deposit date: | 2018-04-19 | | Release date: | 2018-06-13 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.85 Å) | | Cite: | Cryo-EM structure of the human neutral amino acid transporter ASCT2.
Nat. Struct. Mol. Biol., 25, 2018
|
|
4Y0Y
 | | Trypsin in complex with with BPTI | | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | Authors: | Loll, B, Ye, S, Berger, A.A, Muelow, U, Alings, C, Wahl, M.C, Koksch, B. | | Deposit date: | 2015-02-06 | | Release date: | 2015-06-24 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Fluorine teams up with water to restore inhibitor activity to mutant BPTI.
Chem Sci, 6, 2015
|
|
4Y0Z
 | | Trypsin in complex with with BPTI mutant AMINOBUTYRIC ACID | | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | Authors: | Loll, B, Ye, S, Berger, A.A, Muelow, U, Alings, C, Wahl, M.C, Koksch, B. | | Deposit date: | 2015-02-06 | | Release date: | 2015-06-24 | | Last modified: | 2018-04-18 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Fluorine teams up with water to restore inhibitor activity to mutant BPTI.
Chem Sci, 6, 2015
|
|
6HRA
 | | Cryo-EM structure of the KdpFABC complex in an E1 outward-facing state (state 1) | | Descriptor: | POTASSIUM ION, Potassium-transporting ATPase ATP-binding subunit, Potassium-transporting ATPase KdpC subunit, ... | | Authors: | Stock, C, Hielkema, L, Tascon, I, Wunnicke, D, Oostergetel, G.T, Azkargorta, M, Paulino, C, Haenelt, I. | | Deposit date: | 2018-09-26 | | Release date: | 2018-12-05 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Cryo-EM structures of KdpFABC suggest a K+transport mechanism via two inter-subunit half-channels.
Nat Commun, 9, 2018
|
|
4Y10
 | | Trypsin in complex with with BPTI mutant (2S)-2-amino-4,4-difluorobutanoic acid | | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | Authors: | Loll, B, Ye, S, Berger, A.A, Muelow, U, Alings, C, Wahl, M.C, Koksch, B. | | Deposit date: | 2015-02-06 | | Release date: | 2015-06-24 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Fluorine teams up with water to restore inhibitor activity to mutant BPTI.
Chem Sci, 6, 2015
|
|
4Y11
 | | Trypsin in complex with with BPTI mutant (2S)-2-amino-4,4,4-trifluorobutanoic acid | | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | Authors: | Loll, B, Ye, S, Berger, A.A, Muelow, U, Alings, C, Wahl, M.C, Koksch, B. | | Deposit date: | 2015-02-06 | | Release date: | 2015-06-24 | | Last modified: | 2018-04-18 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Fluorine teams up with water to restore inhibitor activity to mutant BPTI.
Chem Sci, 6, 2015
|
|
6HRB
 | | Cryo-EM structure of the KdpFABC complex in an E2 inward-facing state (state 2) | | Descriptor: | POTASSIUM ION, Potassium-transporting ATPase ATP-binding subunit, Potassium-transporting ATPase KdpC subunit, ... | | Authors: | Stock, C, Hielkema, L, Tascon, I, Wunnicke, D, Oostergetel, G.T, Azkargorta, M, Paulino, C, Haenelt, I. | | Deposit date: | 2018-09-26 | | Release date: | 2018-12-05 | | Last modified: | 2019-12-11 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Cryo-EM structures of KdpFABC suggest a K+transport mechanism via two inter-subunit half-channels.
Nat Commun, 9, 2018
|
|
7AHD
 | | OpuA (E190Q) occluded | | Descriptor: | ABC transporter permease subunit, ABC-type proline/glycine betaine transport system ATPase component, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Sikkema, H.R, Rheinberger, J, Paulino, C, Poolman, B. | | Deposit date: | 2020-09-24 | | Release date: | 2020-11-25 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Gating by ionic strength and safety check by cyclic-di-AMP in the ABC transporter OpuA.
Sci Adv, 6, 2020
|
|
7AHH
 | | OpuA inhibited inward-facing, SBD docked | | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, ABC transporter permease subunit, ABC-type proline/glycine betaine transport system ATPase component, ... | | Authors: | Sikkema, H.R, Rheinberger, J, Paulino, C, Poolman, B. | | Deposit date: | 2020-09-24 | | Release date: | 2020-11-25 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Gating by ionic strength and safety check by cyclic-di-AMP in the ABC transporter OpuA.
Sci Adv, 6, 2020
|
|
7AHE
 | | OpuA inhibited inward facing | | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, ABC transporter permease subunit, ABC-type proline/glycine betaine transport system ATPase component | | Authors: | Sikkema, H.R, Rheinberger, J, Paulino, C, Poolman, B. | | Deposit date: | 2020-09-24 | | Release date: | 2020-11-25 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Gating by ionic strength and safety check by cyclic-di-AMP in the ABC transporter OpuA.
Sci Adv, 6, 2020
|
|
7AHC
 | | OpuA apo inward-facing | | Descriptor: | ABC transporter permease subunit, ABC-type proline/glycine betaine transport system ATPase component | | Authors: | Sikkema, H.R, Rheinberger, J, Paulino, C, Poolman, B. | | Deposit date: | 2020-09-24 | | Release date: | 2020-11-25 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Gating by ionic strength and safety check by cyclic-di-AMP in the ABC transporter OpuA.
Sci Adv, 6, 2020
|
|
7B5E
 | | Structure of calcium-bound mTMEM16A(ac)-I551A chloride channel at 4.1 A resolution | | Descriptor: | Anoctamin-1, CALCIUM ION | | Authors: | Lam, A.K.M, Rheinberger, J, Paulino, C, Dutzler, R. | | Deposit date: | 2020-12-03 | | Release date: | 2021-02-10 | | Last modified: | 2021-02-17 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Gating the pore of the calcium-activated chloride channel TMEM16A.
Nat Commun, 12, 2021
|
|
