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3RIL
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BU of 3ril by Molmil
The acid beta-glucosidase active site exhibits plasticity in binding 3,4,5,6-tetrahydroxyazepane-based inhibitors: implications for pharmacological chaperone design for gaucher disease
Descriptor: (3S,4R,5R,6S)-azepane-3,4,5,6-tetrol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glucosylceramidase, ...
Authors:Orwig, S.D, Lieberman, R.L.
Deposit date:2011-04-13
Release date:2012-03-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Binding of 3,4,5,6-tetrahydroxyazepanes to the acid-beta-glucosidase active site: implications for pharmacological chaperone design for Gaucher disease
Biochemistry, 50, 2011
2NN3
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BU of 2nn3 by Molmil
structure of pro-sf-caspase-1
Descriptor: Caspase-1
Authors:Fisher, A.J, Ni, L.
Deposit date:2006-10-23
Release date:2007-10-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Pro-sfcapsase-1, structural insights into activation mechanism of caspases
To be Published
8H1T
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BU of 8h1t by Molmil
Cryo-EM structure of BAP1-ASXL1 bound to chromatosome
Descriptor: DNA (187-MER), Histone H1.4, Histone H2A type 1-D, ...
Authors:Ge, W, Yu, C, Xu, R.M.
Deposit date:2022-10-04
Release date:2023-02-01
Last modified:2023-04-19
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Basis of the H2AK119 specificity of the Polycomb repressive deubiquitinase.
Nature, 616, 2023
7VFW
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BU of 7vfw by Molmil
Human N-type voltage gated calcium channel CaV2.2-alpha2/delta1-beta1 complex, bound to CaV2.2-blocker1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(4-chlorophenyl)-1-(2-methoxyphenyl)-3-(2,2,6,6-tetramethyloxan-4-yl)pyrazole, CALCIUM ION, ...
Authors:Dong, Y, Gao, Y, Wang, Y, Zhao, Y.
Deposit date:2021-09-13
Release date:2021-11-03
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Closed-state inactivation and pore-blocker modulation mechanisms of human Ca V 2.2.
Cell Rep, 37, 2021
7VFU
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BU of 7vfu by Molmil
Human N-type voltage gated calcium channel CaV2.2-alpha2/delta1-beta1 complex, bound to ziconotide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ...
Authors:Dong, Y, Gao, Y, Wang, Y, Zhao, Y.
Deposit date:2021-09-13
Release date:2021-11-03
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Closed-state inactivation and pore-blocker modulation mechanisms of human Ca V 2.2.
Cell Rep, 37, 2021
7VFV
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BU of 7vfv by Molmil
Human N-type voltage gated calcium channel CaV2.2-alpha2/delta1-beta1 complex, bound to PD173212
Descriptor: (2~{S})-~{N}-[(2~{S})-1-(~{tert}-butylamino)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-[(4-~{tert}-butylphenyl)methyl-methyl-amino]-4-methyl-pentanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Dong, Y, Gao, Y, Wang, Y, Zhao, Y.
Deposit date:2021-09-13
Release date:2021-11-03
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Closed-state inactivation and pore-blocker modulation mechanisms of human Ca V 2.2.
Cell Rep, 37, 2021
7VFS
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BU of 7vfs by Molmil
Human N-type voltage gated calcium channel CaV2.2-alpha2/delta1-beta1 complex, apo state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ...
Authors:Dong, Y, Gao, Y, Wang, Y, Zhao, Y.
Deposit date:2021-09-13
Release date:2021-11-03
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Closed-state inactivation and pore-blocker modulation mechanisms of human Ca V 2.2.
Cell Rep, 37, 2021
8V7L
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BU of 8v7l by Molmil
Cryo-EM structure of singly-bound SNF2h-nucleosome complex with SNF2h at inactive SHL2 (conformation 2)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Histone H2A type 1, Histone H2B, ...
Authors:Chio, U.S, Palovcak, E, Armache, J.P, Narlikar, G.J, Cheng, Y.
Deposit date:2023-12-04
Release date:2024-03-20
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Functionalized graphene-oxide grids enable high-resolution cryo-EM structures of the SNF2h-nucleosome complex without crosslinking.
Nat Commun, 15, 2024
8V6V
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BU of 8v6v by Molmil
Cryo-EM structure of doubly-bound SNF2h-nucleosome complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Histone H2A type 1, Histone H2B, ...
Authors:Chio, U.S, Palovcak, E, Armache, J.P, Narlikar, G.J, Cheng, Y.
Deposit date:2023-12-03
Release date:2024-03-20
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Functionalized graphene-oxide grids enable high-resolution cryo-EM structures of the SNF2h-nucleosome complex without crosslinking.
Nat Commun, 15, 2024
8V4Y
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BU of 8v4y by Molmil
Cryo-EM structure of singly-bound SNF2h-nucleosome complex with SNF2h at inactive SHL2 (conformation 1)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Histone H2A type 1, ...
Authors:Chio, U.S, Palovcak, E, Armache, J.P, Narlikar, G.J, Cheng, Y.
Deposit date:2023-11-29
Release date:2024-03-20
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Functionalized graphene-oxide grids enable high-resolution cryo-EM structures of the SNF2h-nucleosome complex without crosslinking.
Nat Commun, 15, 2024
8BV2
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BU of 8bv2 by Molmil
Biological and structural analysis of new potent Integrase-LEDGF allosteric HIV-1 inhibitors
Descriptor: (2S)-2-[3-cyclopropyl-2-(3,4-dihydro-2H-chromen-6-yl)-6-methyl-phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, Integrase, MAGNESIUM ION, ...
Authors:Ruff, M, Benarous, R.
Deposit date:2022-12-01
Release date:2023-06-07
Last modified:2023-07-26
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
8CZ9
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BU of 8cz9 by Molmil
Crystal Structure of the E372K LNK SH2 Domain mutant in Complex with a JAK2 pY813 Phosphopeptide
Descriptor: CHLORIDE ION, JAK2 pY813 phosphopeptide, SH2B adapter protein 3
Authors:Morris, R, Kershaw, N.J, Babon, J.J.
Deposit date:2022-05-24
Release date:2023-05-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Rare SH2B3 coding variants in lupus patients impair B cell tolerance and predispose to autoimmunity.
J.Exp.Med., 221, 2024
8DMB
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BU of 8dmb by Molmil
Structure of Desulfovirgula thermocuniculi IsrB (DtIsrB) in complex with omega RNA and target DNA
Descriptor: MAGNESIUM ION, Ubiquitin-like protein SMT3,IsrB protein,monomeric superfolder Green Fluorescent Protein, non-target DNA, ...
Authors:Seiichi, H, Kappel, K, Zhang, F.
Deposit date:2022-07-08
Release date:2022-10-19
Last modified:2022-10-26
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of the OMEGA nickase IsrB in complex with omega RNA and target DNA.
Nature, 610, 2022
8D4X
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BU of 8d4x by Molmil
Structure of the human UBR5 HECT-type E3 ubiquitin ligase in a dimeric form
Descriptor: E3 ubiquitin-protein ligase UBR5, ZINC ION
Authors:Wang, F, He, Q, Lin, G, Li, H.
Deposit date:2022-06-02
Release date:2023-04-19
Last modified:2023-05-17
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structure of the human UBR5 E3 ubiquitin ligase.
Structure, 31, 2023
8DVG
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BU of 8dvg by Molmil
Structure of KRAS WT(7-16)-HLA-A*03:01
Descriptor: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, HLA class I histocompatibility antigen, ...
Authors:Wright, K.M, Miller, M, Gabelli, S.B.
Deposit date:2022-07-28
Release date:2023-07-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.594 Å)
Cite:Hydrophobic interactions dominate the recognition of a KRAS G12V neoantigen.
Nat Commun, 14, 2023
8IES
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BU of 8ies by Molmil
Cryo-EM structure of ATP13A2 in the E1P-ADP state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Polyamine-transporting ATPase 13A2, ...
Authors:Liu, Z.M, Mu, J.Q, Xue, C.Y.
Deposit date:2023-02-15
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:Conformational cycle of human polyamine transporter ATP13A2.
Nat Commun, 14, 2023
8IEM
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BU of 8iem by Molmil
Cryo-EM structure of ATP13A2 in the E2P state
Descriptor: BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, Polyamine-transporting ATPase 13A2, ...
Authors:Liu, Z.M, Mu, J.Q, Xue, C.Y.
Deposit date:2023-02-15
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Conformational cycle of human polyamine transporter ATP13A2.
Nat Commun, 14, 2023
8IEL
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BU of 8iel by Molmil
Cryo-EM structure of ATP13A2 in the E1-like state
Descriptor: Polyamine-transporting ATPase 13A2
Authors:Liu, Z.M, Mu, J.Q, Xue, C.Y.
Deposit date:2023-02-15
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (5.65 Å)
Cite:Conformational cycle of human polyamine transporter ATP13A2.
Nat Commun, 14, 2023
8IEO
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BU of 8ieo by Molmil
Cryo-EM structure of ATP13A2 in the nominal E1P state
Descriptor: MAGNESIUM ION, Polyamine-transporting ATPase 13A2, SPERMINE, ...
Authors:Liu, Z.M, Mu, J.Q, Xue, C.Y.
Deposit date:2023-02-15
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:Conformational cycle of human polyamine transporter ATP13A2.
Nat Commun, 14, 2023
8IEN
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BU of 8ien by Molmil
Cryo-EM structure of ATP13A2 in the E2-Pi state
Descriptor: MAGNESIUM ION, Polyamine-transporting ATPase 13A2, SPERMINE, ...
Authors:Liu, Z.M, Mu, J.Q, Xue, C.Y.
Deposit date:2023-02-15
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Conformational cycle of human polyamine transporter ATP13A2.
Nat Commun, 14, 2023
8IER
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BU of 8ier by Molmil
Cryo-EM structure of ATP13A2 in the putative of E2 state
Descriptor: Polyamine-transporting ATPase 13A2, SPERMINE
Authors:Liu, Z.M, Mu, J.Q, Xue, C.Y.
Deposit date:2023-02-15
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (4.87 Å)
Cite:Conformational cycle of human polyamine transporter ATP13A2.
Nat Commun, 14, 2023
6U2D
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BU of 6u2d by Molmil
PmtCD peptide exporter basket domain
Descriptor: ABC transporter ATP-binding protein, IODIDE ION, SULFATE ION
Authors:Zeytuni, N, Strynadka, N.C.J.
Deposit date:2019-08-19
Release date:2020-10-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structural insight into the Staphylococcus aureus ATP-driven exporter of virulent peptide toxins
Sci Adv, 6, 2020
6X3F
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BU of 6x3f by Molmil
hEAAT3-IFS-Apo
Descriptor: CHOLINE ION, Excitatory amino acid transporter 3
Authors:Qiu, B, Matthies, D, Boudker, O.
Deposit date:2020-05-21
Release date:2021-03-17
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Cryo-EM structures of excitatory amino acid transporter 3 visualize coupled substrate, sodium, and proton binding and transport.
Sci Adv, 7, 2021
6X2L
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BU of 6x2l by Molmil
hEAAT3-IFS-Na
Descriptor: Excitatory amino acid transporter 3
Authors:Qiu, B, Matthies, D, Boudker, O.
Deposit date:2020-05-20
Release date:2021-03-17
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.85 Å)
Cite:Cryo-EM structures of excitatory amino acid transporter 3 visualize coupled substrate, sodium, and proton binding and transport.
Sci Adv, 7, 2021
6X2Z
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BU of 6x2z by Molmil
hEAAT3-OFS-Asp
Descriptor: ASPARTIC ACID, Excitatory amino acid transporter 3, SODIUM ION
Authors:Qiu, B, Matthies, D, Boudker, O.
Deposit date:2020-05-21
Release date:2021-03-17
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Cryo-EM structures of excitatory amino acid transporter 3 visualize coupled substrate, sodium, and proton binding and transport.
Sci Adv, 7, 2021

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