2XRO
 
 | | Crystal structure of TtgV in complex with its DNA operator | | Descriptor: | HTH-TYPE TRANSCRIPTIONAL REGULATOR TTGV, OSMIUM ION, TTGV OPERATOR DNA | | Authors: | Lu, D, Fillet, S, Meng, C, Alguel, Y, Kloppsteck, P, Bergeron, J, Krell, T, Gallegos, M.-T, Ramos, J, Zhang, X. | | Deposit date: | 2010-09-17 | | Release date: | 2010-12-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Crystal Structure of Ttgv in Complex with its DNA Operator Reveals a General Model for Cooperative DNA Binding of Tetrameric Gene Regulators.
Genes Dev., 24, 2010
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5A8Z
 | | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(4R)-7-methyl-2,5-bis(oxidanylidene)-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydropyrimido[4,5-d]pyridazin-4-yl]benzenecarbonitrile, Neutrophil elastase, ... | | Authors: | von Nussbaum, F, Li, V.M, Meibom, D, Anlauf, S, Bechem, M, Delbeck, M, Gerisch, M, Harrenga, A, Karthaus, D, Lang, D, Lustig, K, Mittendorf, J, Schaefer, M, Schaefer, S, Schamberger, J. | | Deposit date: | 2015-07-17 | | Release date: | 2016-08-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Potent and Selective Human Neutrophil Elastase Inhibitors with Novel Equatorial Ring Topology: in vivo Efficacy of the Polar Pyrimidopyridazine BAY-8040 in a Pulmonary Arterial Hypertension Rat Model.
ChemMedChem, 11, 2016
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5A0B
 | | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | | Descriptor: | (4R)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | | Deposit date: | 2015-04-17 | | Release date: | 2015-08-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases.
ChemMedChem, 10, 2015
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6U6D
 | | MthK closed state with EDTA | | Descriptor: | Calcium-gated potassium channel MthK, POTASSIUM ION | | Authors: | Fan, C, Rheinberger, J, Nimigean, C.M. | | Deposit date: | 2019-08-29 | | Release date: | 2020-03-25 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Ball-and-chain inactivation in a calcium-gated potassium channel.
Nature, 580, 2020
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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
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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
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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
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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
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7NNU
 | | Cryo-EM structure of the folate-specific ECF transporter complex in MSP2N2 lipid nanodiscs | | Descriptor: | Conserved hypothetical membrane protein, Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, ... | | Authors: | Thangaratnarajah, C, Rheinberger, J, Paulino, C, Slotboom, D.J. | | Deposit date: | 2021-02-25 | | Release date: | 2021-08-18 | | Last modified: | 2021-09-22 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Insights into the bilayer-mediated toppling mechanism of a folate-specific ECF transporter by cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7NNT
 | | Cryo-EM structure of the folate-specific ECF transporter complex in DDM micelles | | Descriptor: | Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, Energy-coupling factor transporter transmembrane protein EcfT, ... | | Authors: | Thangaratnarajah, C, Rheinberger, J, Paulino, C, Slotboom, D.J. | | Deposit date: | 2021-02-25 | | Release date: | 2021-08-18 | | Last modified: | 2021-09-22 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Insights into the bilayer-mediated toppling mechanism of a folate-specific ECF transporter by cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
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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
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7B5D
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7B5C
 | | Structure of calcium-bound mTMEM16A(ac) chloride channel at 3.7 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 (3.7 Å) | | Cite: | Gating the pore of the calcium-activated chloride channel TMEM16A.
Nat Commun, 12, 2021
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8BMS
 | | Cryo-EM structure of the mutant solitary ECF module 2EQ in MSP2N2 lipid nanodiscs in the ATPase closed and ATP-bound conformation | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, ... | | Authors: | Thangaratnarajah, C, Rheinberger, J, Paulino, C, Slotboom, D.J. | | Deposit date: | 2022-11-10 | | Release date: | 2023-08-02 | | Last modified: | 2023-08-09 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Expulsion mechanism of the substrate-translocating subunit in ECF transporters.
Nat Commun, 14, 2023
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8BMQ
 | | Cryo-EM structure of the folate-specific ECF transporter complex in MSP2N2 lipid nanodiscs bound to AMP-PNP | | Descriptor: | Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, Energy-coupling factor transporter transmembrane protein EcfT, ... | | Authors: | Thangaratnarajah, C, Rheinberger, J, Paulino, C, Slotboom, D.J. | | Deposit date: | 2022-11-10 | | Release date: | 2023-08-02 | | Last modified: | 2023-08-09 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Expulsion mechanism of the substrate-translocating subunit in ECF transporters.
Nat Commun, 14, 2023
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8BMR
 | | Cryo-EM structure of the wild-type solitary ECF module in MSP2N2 lipid nanodiscs in the ATPase open and nucleotide-free conformation | | Descriptor: | Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, Energy-coupling factor transporter transmembrane protein EcfT | | Authors: | Thangaratnarajah, C, Rheinberger, J, Paulino, C, Slotboom, D.J. | | Deposit date: | 2022-11-10 | | Release date: | 2023-08-02 | | Last modified: | 2023-08-09 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Expulsion mechanism of the substrate-translocating subunit in ECF transporters.
Nat Commun, 14, 2023
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8BMP
 | | Cryo-EM structure of the folate-specific ECF transporter complex in MSP2N2 lipid nanodiscs bound to ATP and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Energy-coupling factor transporter ATP-binding protein EcfA1, ... | | Authors: | Thangaratnarajah, C, Rheinberger, J, Paulino, C, Slotboom, D.J. | | Deposit date: | 2022-11-10 | | Release date: | 2023-08-02 | | Last modified: | 2023-08-09 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Expulsion mechanism of the substrate-translocating subunit in ECF transporters.
Nat Commun, 14, 2023
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3OPY
 | | Crystal structure of Pichia pastoris phosphofructokinase in the T-state | | Descriptor: | 6-phosphofructo-1-kinase alpha-subunit, 6-phosphofructo-1-kinase beta-subunit, 6-phosphofructo-1-kinase gamma-subunit, ... | | Authors: | Strater, N, Marek, S, Kuettner, E.B, Kloos, M, Keim, A, Bruser, A, Kirchberger, J, Schoneberg, T. | | Deposit date: | 2010-09-02 | | Release date: | 2010-10-06 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Molecular architecture and structural basis of allosteric regulation of eukaryotic phosphofructokinases.
Faseb J., 25, 2011
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6VXZ
 | | SthK P300A cyclic nucleotide-gated potassium channel in the closed state, in complex with cAMP | | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, SthK | | Authors: | Schmidpeter, P.A.M, Rheinberger, J, Nimigean, C.M. | | Deposit date: | 2020-02-25 | | Release date: | 2020-11-11 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.42 Å) | | Cite: | Prolyl isomerization controls activation kinetics of a cyclic nucleotide-gated ion channel.
Nat Commun, 11, 2020
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6VY0
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8PD8
 | | cAMP-bound SpSLC9C1 in lipid nanodiscs, dimer | | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Sperm-specific sodium proton exchanger | | Authors: | Kalienkova, V, Peter, M, Rheinberger, J, Paulino, C. | | Deposit date: | 2023-06-12 | | Release date: | 2023-11-08 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structures of a sperm-specific solute carrier gated by voltage and cAMP.
Nature, 623, 2023
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8PD3
 | | Ligand-free SpSLC9C1 in lipid nanodiscs, protomer state 2 | | Descriptor: | Sperm-specific sodium proton exchanger | | Authors: | Kalienkova, V, Peter, M, Rheinberger, J, Paulino, C. | | Deposit date: | 2023-06-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structures of a sperm-specific solute carrier gated by voltage and cAMP.
Nature, 623, 2023
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8PD7
 | | Ligand-free SpSLC9C1 in lipid nanodiscs, protomer state 4 | | Descriptor: | Sperm-specific sodium proton exchanger | | Authors: | Kalienkova, V, Peter, M, Rheinberger, J, Paulino, C. | | Deposit date: | 2023-06-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structures of a sperm-specific solute carrier gated by voltage and cAMP.
Nature, 623, 2023
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8PCZ
 | | Ligand-free SpSLC9C1 in lipid nanodiscs, dimer | | Descriptor: | Sperm-specific sodium proton exchanger | | Authors: | Kalienkova, V, Peter, M, Rheinberger, J, Paulino, C. | | Deposit date: | 2023-06-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.21 Å) | | Cite: | Structures of a sperm-specific solute carrier gated by voltage and cAMP.
Nature, 623, 2023
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8PD2
 | | Ligand-free SpSLC9C1 in lipid nanodiscs, protomer state 1 | | Descriptor: | Sperm-specific sodium proton exchanger | | Authors: | Kalienkova, V, Peter, M, Rheinberger, J, Paulino, C. | | Deposit date: | 2023-06-11 | | Release date: | 2023-11-08 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (3.25 Å) | | Cite: | Structures of a sperm-specific solute carrier gated by voltage and cAMP.
Nature, 623, 2023
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