8BMP
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![BU of 8bmp by Molmil](/molmil-images/mine/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: | 2024-07-24 | 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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5A8Z
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![BU of 5a8z by Molmil](/molmil-images/mine/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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5A0C
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![BU of 5a0c by Molmil](/molmil-images/mine/5a0c) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | Descriptor: | (6S)-6-(4-cyano-2-methylsulfonyl-phenyl)-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carbonitrile, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 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 (2.1 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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5A09
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![BU of 5a09 by Molmil](/molmil-images/mine/5a09) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | Descriptor: | 2-[(4R)-4-(4-cyanophenyl)-5-ethanoyl-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-3-yl]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, NEUTROPHIL ELASTASE, ... | 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: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.81 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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5A8X
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![BU of 5a8x by Molmil](/molmil-images/mine/5a8x) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Neutrophil elastase, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | vonNussbaum, 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 (2.23 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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5A0A
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![BU of 5a0a by Molmil](/molmil-images/mine/5a0a) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-[(6R)-5-ethanoyl-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]pyridine-2-carbonitrile, ... | 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: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.78 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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5A8Y
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![BU of 5a8y by Molmil](/molmil-images/mine/5a8y) | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, MALONATE ION, ... | Authors: | vonNussbaum, 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 (1.9 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
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![BU of 5a0b by Molmil](/molmil-images/mine/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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2JC5
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![BU of 2jc5 by Molmil](/molmil-images/mine/2jc5) | Apurinic Apyrimidinic (AP) endonuclease (NApe) from Neisseria Meningitidis | Descriptor: | 1,4-DIETHYLENE DIOXIDE, BICINE, EXODEOXYRIBONUCLEASE, ... | Authors: | Carpenter, E.P, Corbett, A, Thomson, H, Adacha, J, Jensen, K, Bergeron, J, Kasampalidis, I, Exley, R, Winterbotham, M, Tang, C, Baldwin, G.S, Freemont, P. | Deposit date: | 2006-12-19 | Release date: | 2007-03-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Ap Endonuclease Paralogues with Distinct Activities in DNA Repair and Bacterial Pathogenesis. Embo J., 26, 2007
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2JC4
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![BU of 2jc4 by Molmil](/molmil-images/mine/2jc4) | 3'-5' exonuclease (NExo) from Neisseria Meningitidis | Descriptor: | ACETATE ION, DIHYDROGENPHOSPHATE ION, EXODEOXYRIBONUCLEASE III, ... | Authors: | Carpenter, E.P, Corbett, A, Thomson, H, Adacha, J, Jensen, K, Bergeron, J, Kasampalidis, I, Exley, R, Winterbotham, M, Tang, C, Baldwin, G, Freemont, P. | Deposit date: | 2006-12-19 | Release date: | 2007-03-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ap Endonuclease Paralogues with Distinct Activities in DNA Repair and Bacterial Pathogenesis. Embo J., 26, 2007
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6U6D
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![BU of 6u6d by Molmil](/molmil-images/mine/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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7NNU
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![BU of 7nnu by Molmil](/molmil-images/mine/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: | 2024-07-10 | 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
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![BU of 7nnt by Molmil](/molmil-images/mine/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: | 2024-07-10 | 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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7AHD
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![BU of 7ahd by Molmil](/molmil-images/mine/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
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![BU of 7ahh by Molmil](/molmil-images/mine/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
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![BU of 7ahe by Molmil](/molmil-images/mine/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
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![BU of 7ahc by Molmil](/molmil-images/mine/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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7B5E
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![BU of 7b5e by Molmil](/molmil-images/mine/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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![BU of 7b5d by Molmil](/molmil-images/mine/7b5d) | |
7B5C
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![BU of 7b5c by Molmil](/molmil-images/mine/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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6VXZ
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![BU of 6vxz by Molmil](/molmil-images/mine/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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3OPY
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![BU of 3opy by Molmil](/molmil-images/mine/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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8PD8
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![BU of 8pd8 by Molmil](/molmil-images/mine/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
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![BU of 8pd3 by Molmil](/molmil-images/mine/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
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![BU of 8pd7 by Molmil](/molmil-images/mine/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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