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8BLB
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BU of 8blb by Molmil
Human serotonin 5-HT3A receptor in complex with vortioxetine (nanodiscs, ECD, active/distorted conformation)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A, ...
Authors:Lopez-Sanchez, U, Nury, H.
Deposit date:2022-11-09
Release date:2024-05-15
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural determinants for activity of the antidepressant vortioxetine at human and rodent 5-HT 3 receptors.
Nat.Struct.Mol.Biol., 31, 2024
7N75
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BU of 7n75 by Molmil
Cryo-EM structure of ATP13A2 D458N/D962N mutant in the E1-apo state, Conformation 1
Descriptor: Isoform 3 of Polyamine-transporting ATPase 13A2
Authors:Sim, S.I, Park, E.
Deposit date:2021-06-09
Release date:2021-11-10
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis of polyamine transport by human ATP13A2 (PARK9).
Mol.Cell, 81, 2021
8BL8
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BU of 8bl8 by Molmil
Human serotonin 5-HT3A receptor (apo, active/distorted conformation)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A
Authors:Lopez-Sanchez, U, Nury, H.
Deposit date:2022-11-09
Release date:2024-05-15
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Structural determinants for activity of the antidepressant vortioxetine at human and rodent 5-HT 3 receptors.
Nat.Struct.Mol.Biol., 31, 2024
7N70
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BU of 7n70 by Molmil
Cryo-EM structure of ATP13A2 in the BeF-bound E2P-like state
Descriptor: BERYLLIUM TRIFLUORIDE ION, CHOLESTEROL HEMISUCCINATE, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Sim, S.I, Park, E.
Deposit date:2021-06-09
Release date:2021-11-10
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis of polyamine transport by human ATP13A2 (PARK9).
Mol.Cell, 81, 2021
7N76
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BU of 7n76 by Molmil
Cryo-EM structure of ATP13A2 D458N/D962N mutant in the E1-apo state, Conformation 2
Descriptor: Isoform 3 of Polyamine-transporting ATPase 13A2
Authors:Sim, S.I, Park, E.
Deposit date:2021-06-09
Release date:2021-11-10
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis of polyamine transport by human ATP13A2 (PARK9).
Mol.Cell, 81, 2021
7N78
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BU of 7n78 by Molmil
Cryo-EM structure of ATP13A2 in the E2-Pi state
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, DODECYL-BETA-D-MALTOSIDE, ...
Authors:Sim, S.I, Park, E.
Deposit date:2021-06-09
Release date:2021-11-10
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis of polyamine transport by human ATP13A2 (PARK9).
Mol.Cell, 81, 2021
7N77
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BU of 7n77 by Molmil
Cryo-EM structure of ATP13A2 D458N/D962N mutant in the AlF-bound E1P-like state
Descriptor: CHOLESTEROL HEMISUCCINATE, Isoform 3 of Polyamine-transporting ATPase 13A2, MAGNESIUM ION, ...
Authors:Sim, S.I, Park, E.
Deposit date:2021-06-09
Release date:2021-11-10
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis of polyamine transport by human ATP13A2 (PARK9).
Mol.Cell, 81, 2021
3VZM
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BU of 3vzm by Molmil
Crystal structure of the Bacillus circulans endo-beta-(1,4)-xylanase (BcX) E172H mutant with Glu78 covalently bonded to 2-deoxy-2-fluoro-xylobiose
Descriptor: Endo-1,4-beta-xylanase, beta-D-xylopyranose-(1-4)-1,5-anhydro-2-deoxy-2-fluoro-D-xylitol
Authors:Ludwiczek, M.L, D'Angelo, I, Yalloway, G.N, Okon, M, Nielsen, J.E, Strynadka, N.C, Withers, S.G, McIntosh, L.P.
Deposit date:2012-10-15
Release date:2013-05-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Strategies for modulating the pH-dependent activity of a family 11 glycoside hydrolase
Biochemistry, 52, 2013
3T0J
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BU of 3t0j by Molmil
Crystal structure of inositol monophosphatase - II from Staphylococcus aureus MSSA476
Descriptor: Inositol monophosphatase family protein, PHOSPHATE ION, TETRAETHYLENE GLYCOL
Authors:Dutta, A, Bhattacharyya, S, Dutta, D, Das, A.K.
Deposit date:2011-07-20
Release date:2012-07-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal structure of inositol monophosphatase - II from Staphylococcus aureus MSSA476
to be published
3T2P
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BU of 3t2p by Molmil
E. coli (lacZ) beta-galactosidase (S796D) in complex with IPTG
Descriptor: 1-methylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, DIMETHYL SULFOXIDE, ...
Authors:Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E.
Deposit date:2011-07-22
Release date:2012-01-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Ser-796 of Beta-Galactosidase (E. coli) Plays a Key Role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop
Arch.Biochem.Biophys., 517, 2012
3T4V
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BU of 3t4v by Molmil
Crystal Structure of AlkB in complex with Fe(III) and N-Oxalyl-S-(2-napthalenemethyl)-L-cysteine
Descriptor: Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, GLYCEROL, ...
Authors:Aik, W.S, McDonough, M.A, Schofield, C.J.
Deposit date:2011-07-26
Release date:2012-03-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.732 Å)
Cite:Dynamic combinatorial mass spectrometry leads to inhibitors of a 2-oxoglutarate-dependent nucleic Acid demethylase.
J.Med.Chem., 55, 2012
8CHD
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BU of 8chd by Molmil
NtUGT1 in two conformations
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Glycosyltransferase, ...
Authors:Fredslund, F, Teze, D, Adams, P.D, Welner, D.H.
Deposit date:2023-02-07
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:NtUGT1 in two conformations
To Be Published
3T6D
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BU of 3t6d by Molmil
Crystal Structure of the Reaction Centre from Blastochloris viridis strain DSM 133 (ATCC 19567) substrain-08
Descriptor: (2S,3R)-heptane-1,2,3-triol, 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, ...
Authors:Roszak, A.W, Gardiner, A.T, Isaacs, N.W, Cogdell, R.J.
Deposit date:2011-07-28
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:New insights into the structure of the reaction centre from Blastochloris viridis: evolution in the laboratory.
Biochem.J., 442, 2012
8CHS
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BU of 8chs by Molmil
Human heparan sulfate N-deacetylase-N-sulfotransferase 1 in complex with calcium, 3'-phosphoadenosine-5'-phosphosulfate and nanobody nAb13 (composite map and model).
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, Bifunctional heparan sulfate N-deacetylase/N-sulfotransferase 1, CALCIUM ION, ...
Authors:Mycroft-West, C.J, Wu, L.
Deposit date:2023-02-08
Release date:2024-02-21
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Structural and mechanistic characterization of bifunctional heparan sulfate N-deacetylase-N-sulfotransferase 1.
Nat Commun, 15, 2024
3T6F
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BU of 3t6f by Molmil
Biotin complex of Y54F core streptavidin
Descriptor: BIOTIN, BIOTIN-D-SULFOXIDE, GLYCEROL, ...
Authors:Baugh, L, Le Trong, I, Cerutti, D.S, Mehta, N, Gulich, S, Stayton, P.S, Stenkamp, R.E, Lybrand, T.P.
Deposit date:2011-07-28
Release date:2011-12-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Second-Contact Shell Mutation Diminishes Streptavidin-Biotin Binding Affinity through Transmitted Effects on Equilibrium Dynamics.
Biochemistry, 51, 2012
3T6L
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BU of 3t6l by Molmil
Y54F mutant of core streptavidin
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Streptavidin
Authors:Baugh, L, Le Trong, I, Stayton, P.S, Stenkamp, R.E, Lybrand, T.P.
Deposit date:2011-07-28
Release date:2011-12-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Second-Contact Shell Mutation Diminishes Streptavidin-Biotin Binding Affinity through Transmitted Effects on Equilibrium Dynamics.
Biochemistry, 51, 2012
7NA9
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BU of 7na9 by Molmil
Crystal structure of BoNT/B-LC-JSG-C1
Descriptor: 1,2-ETHANEDIOL, Botulinum neurotoxin type B, JSG-C1, ...
Authors:Lam, K, Jin, R.
Deposit date:2021-06-20
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Probing the structure and function of the protease domain of botulinum neurotoxins using single-domain antibodies.
Plos Pathog., 18, 2022
7N8O
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BU of 7n8o by Molmil
High-resolution structure of photosystem II from the mesophilic cyanobacterium, Synechocystis sp. PCC 6803
Descriptor: (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Gisriel, C.J, Brudvig, G.W.
Deposit date:2021-06-15
Release date:2021-12-29
Last modified:2022-01-05
Method:ELECTRON MICROSCOPY (1.93 Å)
Cite:High-resolution cryo-electron microscopy structure of photosystem II from the mesophilic cyanobacterium, Synechocystis sp. PCC 6803.
Proc.Natl.Acad.Sci.USA, 119, 2022
8CA2
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BU of 8ca2 by Molmil
ENGINEERING THE HYDROPHOBIC POCKET OF CARBONIC ANHYDRASE II
Descriptor: CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION
Authors:Alexander, R.S, Christianson, D.W.
Deposit date:1991-07-09
Release date:1992-07-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Engineering the hydrophobic pocket of carbonic anhydrase II.
Biochemistry, 30, 1991
7NBZ
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BU of 7nbz by Molmil
Crystal structure of ligand free open conformation of sulfoquinovosyl binding protein (SQBP) from Agrobacterium tumefaciens
Descriptor: ACETATE ION, Sulfoquinovosyl binding protein
Authors:Snow, A, Sharma, M, Davies, G.J.
Deposit date:2021-01-28
Release date:2022-01-19
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Oxidative desulfurization pathway for complete catabolism of sulfoquinovose by bacteria.
Proc.Natl.Acad.Sci.USA, 119, 2022
8CCN
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BU of 8ccn by Molmil
Filamentous actin II from Plasmodium falciparum
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin-2, MAGNESIUM ION
Authors:Kursula, I, Lopez, A.J.
Deposit date:2023-01-27
Release date:2023-02-22
Last modified:2023-08-23
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure and function of Plasmodium actin II in the parasite mosquito stages.
Plos Pathog., 19, 2023
7N85
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BU of 7n85 by Molmil
Inner ring spoke from the isolated yeast NPC
Descriptor: Nucleoporin ASM4, Nucleoporin NIC96, Nucleoporin NSP1, ...
Authors:Akey, C.W, Rout, M.P, Ouch, C, Echevarria, I, Fernandez-Martinez, J, Nudelman, I.
Deposit date:2021-06-13
Release date:2022-01-26
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (7.6 Å)
Cite:Comprehensive structure and functional adaptations of the yeast nuclear pore complex.
Cell, 185, 2022
8CIS
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BU of 8cis by Molmil
The FERM domain of human moesin with two bound peptides identified by phage display
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, C3P, ...
Authors:Bradshaw, W.J, Katis, V.L, Leisner, T.M, Fairhead, M, Bountra, C, von Delft, F, Pearce, K.H, Brennan, P.E.
Deposit date:2023-02-10
Release date:2023-03-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.
J.Biol.Chem., 299, 2023
8BZ3
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BU of 8bz3 by Molmil
Structure od the carbohydrate reconition domain of Gal3 in comples with SAF-2-010
Descriptor: Galectin-3, [(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{S})-5-acetamido-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-oxidanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] hydrogen sulfate
Authors:Medrano, F.J, Romero, A.
Deposit date:2022-12-14
Release date:2023-03-01
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Selectively Modified Lactose and N -Acetyllactosamine Analogs at Three Key Positions to Afford Effective Galectin-3 Ligands.
Int J Mol Sci, 24, 2023
8CIU
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BU of 8ciu by Molmil
The FERM domain of human moesin mutant H288A
Descriptor: Moesin
Authors:Bradshaw, W.J, Katis, V.L, Koekemoer, L, Bountra, C, von Delft, F, Brennan, P.E.
Deposit date:2023-02-10
Release date:2023-03-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.393 Å)
Cite:Discovery of FERM domain protein-protein interaction inhibitors for MSN and CD44 as a potential therapeutic approach for Alzheimer's disease.
J.Biol.Chem., 299, 2023

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