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7DSX
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BU of 7dsx by Molmil
Structure of a human NHE1-CHP1 complex under pH 7.5, bound by cariporide
Descriptor: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, Calcineurin B homologous protein 1, N-[bis(azanyl)methylidene]-3-methylsulfonyl-4-propan-2-yl-benzamide, ...
Authors:Dong, Y, Gao, Y, Li, B, Zhang, X.C, Zhao, Y.
Deposit date:2021-01-03
Release date:2021-06-23
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure and mechanism of the human NHE1-CHP1 complex.
Nat Commun, 12, 2021
4WNT
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BU of 4wnt by Molmil
Human Cytochrome P450 2D6 Ajmalicine Complex
Descriptor: Ajmalicine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Wang, A, Stout, C.D, Johnson, E.F.
Deposit date:2014-10-14
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
4WNW
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BU of 4wnw by Molmil
Human Cytochrome P450 2D6 Thioridazine Complex
Descriptor: 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, Cytochrome P450 2D6, NICKEL (II) ION, ...
Authors:Wang, A, Stout, C.D, Johnson, E.F.
Deposit date:2014-10-14
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.299 Å)
Cite:Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
7WYT
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BU of 7wyt by Molmil
Crystal structures of Na+,K+-ATPase in complex with ouabain
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ogawa, H, Cornelius, F, Kanai, R, Motoyama, K, Vilsen, B, Toyoshima, C.
Deposit date:2022-02-16
Release date:2022-05-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Cryoelectron microscopy of Na + ,K + -ATPase in the two E2P states with and without cardiotonic steroids.
Proc.Natl.Acad.Sci.USA, 119, 2022
7WYS
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BU of 7wys by Molmil
Crystal structures of Na+,K+-ATPase in complex with istaroxime
Descriptor: (3E,5S,8R,9S,10R,13S,14S)-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ogawa, H, Cornelius, F, Kanai, R, Motoyama, K, Vilsen, B, Toyoshima, C.
Deposit date:2022-02-16
Release date:2022-05-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.71 Å)
Cite:Cryoelectron microscopy of Na + ,K + -ATPase in the two E2P states with and without cardiotonic steroids.
Proc.Natl.Acad.Sci.USA, 119, 2022
4WNV
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BU of 4wnv by Molmil
Human Cytochrome P450 2D6 Quinine Complex
Descriptor: Cytochrome P450 2D6, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Wang, A, Stout, C.D, Johnson, E.F.
Deposit date:2014-10-14
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
4WNU
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BU of 4wnu by Molmil
Human Cytochrome P450 2D6 Quinidine Complex
Descriptor: Cytochrome P450 2D6, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Wang, A, Stout, C.D, Johnson, E.F.
Deposit date:2014-10-14
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
6X8O
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BU of 6x8o by Molmil
BimBH3 peptide tetramer
Descriptor: Bcl-2-like protein 11, THIOCYANATE ION
Authors:Robin, A.Y, Westphal, D, Uson, I, Czabotar, P.E.
Deposit date:2020-06-01
Release date:2020-09-09
Last modified:2021-02-17
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Biophysical Characterization of Pro-apoptotic BimBH3 Peptides Reveals an Unexpected Capacity for Self-Association.
Structure, 29, 2021
7WYY
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BU of 7wyy by Molmil
Cryo-EM structure of Na+,K+-ATPase in the E2P state formed by inorganic phosphate with istaroxime
Descriptor: (3E,5S,8R,9S,10R,13S,14S)-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kanai, R, Cornelius, F, Vilsen, B, Toyoshima, C.
Deposit date:2022-02-16
Release date:2022-04-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryoelectron microscopy of Na + ,K + -ATPase in the two E2P states with and without cardiotonic steroids.
Proc.Natl.Acad.Sci.USA, 119, 2022
7WYU
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BU of 7wyu by Molmil
Cryo-EM structure of Na+,K+-ATPase in the E2P state formed by ATP
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kanai, R, Cornelius, F, Vilsen, B, Toyoshima, C.
Deposit date:2022-02-16
Release date:2022-04-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryoelectron microscopy of Na + ,K + -ATPase in the two E2P states with and without cardiotonic steroids.
Proc.Natl.Acad.Sci.USA, 119, 2022
7WYX
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BU of 7wyx by Molmil
Cryo-EM structure of Na+,K+-ATPase in the E2P state formed by ATP with istaroxime
Descriptor: (3E,5S,8R,9S,10R,13S,14S)-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kanai, R, Cornelius, F, Vilsen, B, Toyoshima, C.
Deposit date:2022-02-16
Release date:2022-04-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryoelectron microscopy of Na + ,K + -ATPase in the two E2P states with and without cardiotonic steroids.
Proc.Natl.Acad.Sci.USA, 119, 2022
7WYW
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BU of 7wyw by Molmil
Cryo-EM structure of Na+,K+-ATPase in the E2P state formed by inorganic phosphate
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kanai, R, Cornelius, F, Vilsen, B, Toyoshima, C.
Deposit date:2022-02-16
Release date:2022-04-27
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryoelectron microscopy of Na + ,K + -ATPase in the two E2P states with and without cardiotonic steroids.
Proc.Natl.Acad.Sci.USA, 119, 2022
7WYV
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BU of 7wyv by Molmil
Cryo-EM structure of Na+,K+-ATPase in the E2P state formed by ATP in the presence of 40 mM Mg2+
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kanai, R, Cornelius, F, Vilsen, B, Toyoshima, C.
Deposit date:2022-02-16
Release date:2022-04-27
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryoelectron microscopy of Na + ,K + -ATPase in the two E2P states with and without cardiotonic steroids.
Proc.Natl.Acad.Sci.USA, 119, 2022
7WYZ
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BU of 7wyz by Molmil
Cryo-EM structure of Na+,K+-ATPase in the E2P state formed by ATP with ouabain
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kanai, R, Cornelius, F, Vilsen, B, Toyoshima, C.
Deposit date:2022-02-16
Release date:2022-04-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryoelectron microscopy of Na + ,K + -ATPase in the two E2P states with and without cardiotonic steroids.
Proc.Natl.Acad.Sci.USA, 119, 2022
7WZ0
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BU of 7wz0 by Molmil
Cryo-EM structure of Na+,K+-ATPase in the E2P state formed by inorganic phosphate with ouabain
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kanai, R, Cornelius, F, Vilsen, B, Toyoshima, C.
Deposit date:2022-02-16
Release date:2022-04-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryoelectron microscopy of Na + ,K + -ATPase in the two E2P states with and without cardiotonic steroids.
Proc.Natl.Acad.Sci.USA, 119, 2022
4HQJ
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BU of 4hqj by Molmil
Crystal structure of Na+,K+-ATPase in the Na+-bound state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHOLESTEROL, MAGNESIUM ION, ...
Authors:Nyblom, M, Reinhard, L, Gourdon, P, Nissen, P.
Deposit date:2012-10-25
Release date:2013-10-02
Last modified:2014-09-10
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:Crystal structure of Na+, K(+)-ATPase in the Na(+)-bound state.
Science, 342, 2013
5CFB
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BU of 5cfb by Molmil
Crystal Structure of Human Glycine Receptor alpha-3 Bound to Strychnine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycine receptor subunit alpha-3,Glycine receptor subunit alpha-3, ...
Authors:Shaffer, P.L, Huang, X, Chen, H.
Deposit date:2015-07-08
Release date:2015-09-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Crystal structure of human glycine receptor-alpha 3 bound to antagonist strychnine.
Nature, 526, 2015
8GTT
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BU of 8gtt by Molmil
Cryo-EM structure of human Pannexin1 resembling Pannexin2 pore with W74R/R75Dmutations
Descriptor: Pannexin-1
Authors:Hussain, N, Penmatsa, A.
Deposit date:2022-09-08
Release date:2024-02-28
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structures of pannexin 1 and 3 reveal differences among pannexin isoforms.
Nat Commun, 15, 2024
8GTS
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BU of 8gts by Molmil
CryoEM structure of human Pannexin1 with R217H congenital mutation.
Descriptor: Pannexin-1
Authors:Hussain, N, Penmatsa, A.
Deposit date:2022-09-08
Release date:2024-02-28
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.87 Å)
Cite:Cryo-EM structures of pannexin 1 and 3 reveal differences among pannexin isoforms.
Nat Commun, 15, 2024
4HYT
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BU of 4hyt by Molmil
Na,K-ATPase in the E2P state with bound ouabain and Mg2+ in the cation-binding site
Descriptor: 1-O-decanoyl-beta-D-tagatofuranosyl beta-D-allopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Laursen, M, Yatime, L, Nissen, P, Fedosova, N.U.
Deposit date:2012-11-14
Release date:2013-06-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.404 Å)
Cite:Crystal structure of the high-affinity Na+,K+-ATPase-ouabain complex with Mg2+ bound in the cation binding site.
Proc.Natl.Acad.Sci.USA, 110, 2013
5B7A
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BU of 5b7a by Molmil
SOLUTION STRUCTURE OF LYS37 ACETYLATED HUMAN SUMO1
Descriptor: Small ubiquitin-related modifier 1
Authors:Naik, M.T, Naik, N, Shih, H, Huang, T.
Deposit date:2016-06-05
Release date:2017-06-07
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Structures Of Human Sumo
To Be Published
8GTR
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BU of 8gtr by Molmil
CryoEM structure of human Pannexin isoform 3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHATIDYLETHANOLAMINE, Pannexin-3
Authors:Hussain, N, Penmatsa, A.
Deposit date:2022-09-08
Release date:2024-02-28
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.91 Å)
Cite:Cryo-EM structures of pannexin 1 and 3 reveal differences among pannexin isoforms.
Nat Commun, 15, 2024
1WM8
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BU of 1wm8 by Molmil
Solution Structure of BmP03 from the Venom of Scorpion Buthus martensii Karsch, 10 structures
Descriptor: Neurotoxin BmP03
Authors:Wu, H, He, F, Li, Y, Wu, G, Cao, C, Chen, X.
Deposit date:2004-07-05
Release date:2004-07-27
Last modified:2018-04-18
Method:SOLUTION NMR
Cite:Three-Dimensional Structure of BmP03 from Venom of Scorpion Buthus martensii Karsch
Acta Chim.Sinica, 58, 2000
6XK9
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BU of 6xk9 by Molmil
Cereblon in complex with DDB1, CC-90009, and GSPT1
Descriptor: 2-(4-chlorophenyl)-N-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-5-yl}methyl)-2,2-difluoroacetamide, DNA damage-binding protein 1, Eukaryotic peptide chain release factor GTP-binding subunit ERF3A, ...
Authors:Clayton, T.L, Tran, E.T, Zhu, J, Pagarigan, B.E, Matyskiela, M.E, Chamberlain, P.P.
Deposit date:2020-06-25
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.64 Å)
Cite:CC-90009, a novel cereblon E3 ligase modulator, targets acute myeloid leukemia blasts and leukemia stem cells.
Blood, 137, 2021
4UIJ
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BU of 4uij by Molmil
Crystal structure of the BTB domain of KCTD13
Descriptor: BTB/POZ DOMAIN-CONTAINING ADAPTER FOR CUL3-MEDIATED RHOA DEGRADATION PROTEIN 1, CHLORIDE ION
Authors:Pinkas, D.M, Sanvitale, C.E, Sorell, F.J, Solcan, N, Goubin, S, Canning, P, Williams, E, Chaikuad, A, Dixon Clarke, S.E, Tallant, C, Fonseca, M, Chalk, R, Doutch, J, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.
Deposit date:2015-03-30
Release date:2015-11-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases.
Biochem. J., 474, 2017

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