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8P2W
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BU of 8p2w by Molmil
Structure of human SIT1 (focussed map / refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Sodium- and chloride-dependent transporter XTRP3
Authors:Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B.
Deposit date:2023-05-16
Release date:2024-06-12
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.76 Å)
Cite:Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2.
Nat Commun, 15, 2024
8P2Z
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BU of 8p2z by Molmil
Structure of human SIT1 bound to L-pipecolate (focussed map / refinement)
Descriptor: (2S)-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B.
Deposit date:2023-05-16
Release date:2024-06-12
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2.
Nat Commun, 15, 2024
8P2R
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BU of 8p2r by Molmil
Human Aldose Reductase Mutant A299G/L300A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid)
Descriptor: 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid, Aldo-keto reductase family 1 member B1, CITRIC ACID, ...
Authors:Klee, L.-S, Heine, A, Klebe, G.
Deposit date:2023-05-16
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Human Aldose Reductase Mutant A299G/L300A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid)
To Be Published
8P3C
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BU of 8p3c by Molmil
Full length structure of BpMIP with bound inhibitor NJS227.
Descriptor: (2~{S})-1-[(4-fluorophenyl)methylsulfonyl]-~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-(pyridin-3-ylmethylamino)propan-2-yl]piperidine-2-carboxamide, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A.
Deposit date:2023-05-17
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structural dynamics of macrophage infectivity potentiator proteins (MIPs) are differentially modulated by inhibitors and appendage domains
To Be Published
8P3D
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BU of 8p3d by Molmil
Full length structure of TcMIP with bound inhibitor NJS224.
Descriptor: (2~{S})-1-[(4-fluorophenyl)methylsulfonyl]-~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-(pyridin-3-ylmethylamino)pentan-2-yl]piperidine-2-carboxamide, SODIUM ION, peptidylprolyl isomerase
Authors:Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A.
Deposit date:2023-05-17
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structural dynamics of macrophage infectivity potentiator proteins (MIPs) are differentially modulated by inhibitors and appendage domains
To Be Published
8P30
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BU of 8p30 by Molmil
Structure of human SIT1:ACE2 complex (open PD conformation) bound to L-pipecolate
Descriptor: (2S)-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B.
Deposit date:2023-05-16
Release date:2024-06-12
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2.
Nat Commun, 15, 2024
8P2Y
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BU of 8p2y by Molmil
Structure of human SIT1:ACE2 complex (closed PD conformation)
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B.
Deposit date:2023-05-16
Release date:2024-06-12
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.46 Å)
Cite:Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2.
Nat Commun, 15, 2024
8P31
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BU of 8p31 by Molmil
Structure of human SIT1:ACE2 complex (closed PD conformation) bound to L-pipecolate
Descriptor: (2S)-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B.
Deposit date:2023-05-16
Release date:2024-06-12
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2.
Nat Commun, 15, 2024
8P2X
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BU of 8p2x by Molmil
Structure of human SIT1:ACE2 complex (open PD conformation)
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B.
Deposit date:2023-05-16
Release date:2024-06-12
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2.
Nat Commun, 15, 2024
8P42
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BU of 8p42 by Molmil
Full length structure of TcMIP with bound inhibitor NJS227.
Descriptor: (2~{S})-1-[(4-fluorophenyl)methylsulfonyl]-~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-(pyridin-3-ylmethylamino)propan-2-yl]piperidine-2-carboxamide, DI(HYDROXYETHYL)ETHER, Macrophage infectivity potentiator
Authors:Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A.
Deposit date:2023-05-19
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Structural dynamics of macrophage infectivity potentiator proteins (MIPs) are differentially modulated by inhibitors and appendage domains
To Be Published
8PAS
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BU of 8pas by Molmil
Crystal structure of MAP4K1 with a SMOL inhibitor
Descriptor: 4-[2,6-bis(fluoranyl)-4-(3-morpholin-4-ylpropylcarbamoylamino)phenoxy]-~{N}-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1~{H}-pyrrolo[2,3-b]pyridine-3-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1
Authors:Friberg, A.
Deposit date:2023-06-08
Release date:2024-06-26
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Identification and optimization of Azaindole based MAP4K1 Inhibitors and the discovery of BAY-405
To Be Published
8OVQ
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BU of 8ovq by Molmil
Crystal structure of Geodia cydonium sponge adhesion molecule long form (SAML).
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell recognition molecule, ...
Authors:Lopez-Sagaseta, J, Urdiciain, A.
Deposit date:2023-04-26
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Crystal structure of Geodia cydonium sponge adhesion molecule long form (SAML).
To Be Published
8PAV
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BU of 8pav by Molmil
Crystal structure of MST1 with a MAP4K1 SMOL inhibitor
Descriptor: 1-[3,5-bis(fluoranyl)-4-[[3-(1,3-thiazol-5-yl)-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-3-(2-methoxyethyl)urea, 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GLYCEROL, ...
Authors:Friberg, A.
Deposit date:2023-06-08
Release date:2024-06-26
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification and optimization of Azaindole based MAP4K1 Inhibitors and the discovery of BAY-405
To Be Published
6NHA
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BU of 6nha by Molmil
Crystal structure of SYNT001, a human FcRn blocking monoclonal antibody
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Beta-2-microglobulin, IgG receptor FcRn large subunit p51, ...
Authors:Blumberg, R.S, Cheung, J, Mahmood, A, Gandhi, A.K.
Deposit date:2018-12-21
Release date:2019-12-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.381 Å)
Cite:Blocking FcRn in humans reduces circulating IgG levels and inhibits IgG immune complex-mediated immune responses.
Sci Adv, 5, 2019
8P4M
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BU of 8p4m by Molmil
CryoEM structure of a C7-symmetrical GroEL7-GroES7 cage in presence of ADP-BeFx
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Chaperonin GroEL, ...
Authors:Wagner, J, Beck, F, Bracher, A, Caravajal, A.I, Wan, W, Bohn, S, Koerner, R, Baumeister, W, Fernandez-Busnadiego, R, Hartl, F.U.
Deposit date:2023-05-23
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Visualizing chaperonin function in situ by cryo-electron tomography
Nature, 2024
8P4P
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BU of 8p4p by Molmil
Structure average of GroEL14 complexes found in the cytosol of Escherichia coli overexpressing GroEL obtained by cryo electron tomography
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Chaperonin GroEL, ...
Authors:Wagner, J, Caravajal, A.I, Beck, F, Bracher, A, Wan, W, Bohn, S, Koerner, R, Baumeister, W, Fernandez-Busnadiego, R, Hartl, F.U.
Deposit date:2023-05-23
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (9.6 Å)
Cite:Visualizing chaperonin function in situ by cryo-electron tomography
Nature, 2024
8P4N
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BU of 8p4n by Molmil
CryoEM structure of a GroEL7-GroES7 cage with encapsulated disordered substrate MetK in the presence of ADP-BeFx
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Chaperonin GroEL, ...
Authors:Wagner, J, Beck, F, Bracher, A, Caravajal, A.I, Wan, W, Bohn, S, Koerner, R, Baumeister, W, Fernandez-Busnadiego, R, Hartl, F.U.
Deposit date:2023-05-23
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Visualizing chaperonin function in situ by cryo-electron tomography
Nature, 2024
8P4R
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BU of 8p4r by Molmil
In situ structure average of GroEL14-GroES14 complexes in Escherichia coli cytosol obtained by cryo electron tomography
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Chaperonin GroEL, Co-chaperonin GroES, ...
Authors:Wagner, J, Caravajal, A.I, Beck, F, Bracher, A, Wan, W, Bohn, S, Koerner, R, Baumeister, W, Fernandez-Busnadiego, R, Hartl, F.U.
Deposit date:2023-05-23
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (11.9 Å)
Cite:Visualizing chaperonin function in situ by cryo-electron tomography
Nature, 2024
8P4O
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BU of 8p4o by Molmil
CryoEM structure of a GroEL7-GroES7 cage with encapsulated ordered substrate MetK in the presence of ADP-BeFx
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Chaperonin GroEL, ...
Authors:Wagner, J, Beck, F, Bracher, A, Caravajal, A.I, Wan, W, Bohn, S, Koerner, R, Baumeister, W, Fernandez-Busnadiego, R, Hartl, F.U.
Deposit date:2023-05-23
Release date:2024-07-03
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Visualizing chaperonin function in situ by cryo-electron tomography
Nature, 2024
8OZM
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BU of 8ozm by Molmil
In situ cryoEM structure of the Prototype Foamy Virus capsid, hexamer 1 localised reconstruction
Descriptor: Gag polyprotein
Authors:Calcraft, T, Nans, A, Rosenthal, P.B.
Deposit date:2023-05-09
Release date:2024-07-10
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Integrated cryoEM structure of a spumaretrovirus reveals cross-kingdom evolutionary relationships and the molecular basis for assembly and virus entry.
Cell, 2024
8OZN
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BU of 8ozn by Molmil
In situ cryoEM structure of the Prototype Foamy Virus capsid, hexamer 2 localised reconstruction
Descriptor: Gag polyprotein
Authors:Calcraft, T, Nans, A, Rosenthal, P.B.
Deposit date:2023-05-09
Release date:2024-07-10
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Integrated cryoEM structure of a spumaretrovirus reveals cross-kingdom evolutionary relationships and the molecular basis for assembly and virus entry.
Cell, 2024
8OZQ
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BU of 8ozq by Molmil
In situ subtomogram average of Prototype Foamy Virus Env hexamer of trimers
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 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:Calcraft, T, Nans, A, Rosenthal, P.B.
Deposit date:2023-05-09
Release date:2024-07-10
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (10 Å)
Cite:Integrated cryoEM structure of a spumaretrovirus reveals cross-kingdom evolutionary relationships and the molecular basis for assembly and virus entry.
Cell, 2024
8OZH
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BU of 8ozh by Molmil
In situ cryoEM structure of Prototype Foamy Virus Env trimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 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:Calcraft, T, Nans, A, Rosenthal, P.B.
Deposit date:2023-05-09
Release date:2024-07-10
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:Integrated cryoEM structure of a spumaretrovirus reveals cross-kingdom evolutionary relationships and the molecular basis for assembly and virus entry.
Cell, 2024
8OZJ
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BU of 8ozj by Molmil
In situ cryoEM structure of Prototype Foamy Virus Env dimer of trimers
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 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:Calcraft, T, Nans, A, Rosenthal, P.B.
Deposit date:2023-05-09
Release date:2024-07-10
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Integrated cryoEM structure of a spumaretrovirus reveals cross-kingdom evolutionary relationships and the molecular basis for assembly and virus entry.
Cell, 2024
8OZL
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BU of 8ozl by Molmil
In situ cryoEM structure of the Prototype Foamy Virus capsid, pentamer localised reconstruction
Descriptor: Gag polyprotein
Authors:Calcraft, T, Nans, A, Rosenthal, P.B.
Deposit date:2023-05-09
Release date:2024-07-10
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Integrated cryoEM structure of a spumaretrovirus reveals cross-kingdom evolutionary relationships and the molecular basis for assembly and virus entry.
Cell, 2024

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PDB entries from 2024-08-07

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