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PDB: 2662 results

8D3I
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Crystal structure of human Apoptosis-Inducing Factor (AIF) W196A mutant complexed with quinolin-4-amine
Descriptor: 1,2-ETHANEDIOL, Apoptosis-inducing factor 1, mitochondrial, ...
Authors:Brosey, C.A, Tainer, J.A.
Deposit date:2022-06-01
Release date:2023-11-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
8D3N
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BU of 8d3n by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) complexed with 7-chloroquinolin-4-amine
Descriptor: 1,2-ETHANEDIOL, 7-chloroquinolin-4-amine, Apoptosis-inducing factor 1, ...
Authors:Brosey, C.A, Tainer, J.A.
Deposit date:2022-06-01
Release date:2023-11-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
8D3K
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Crystal structure of human Apoptosis-Inducing Factor (AIF) complexed with 8-fluoro-2-methylquinolin-4-amine
Descriptor: 1,2-ETHANEDIOL, 8-fluoro-2-methylquinolin-4-amine, Apoptosis-inducing factor 1, ...
Authors:Brosey, C.A, Tainer, J.A.
Deposit date:2022-06-01
Release date:2023-11-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
8E77
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rystal structure of Pcryo_0616, the aminotransferase required to synthesize UDP-N-acetyl-3-amino-D-glucosaminuronic acid (UDP-GlcNAc3NA), incomplete with its external aldimine reaction intermediate
Descriptor: (2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name), 1,2-ETHANEDIOL, DegT/DnrJ/EryC1/StrS aminotransferase, ...
Authors:Hofmeister, D.L, Seltzner, C.A, Bockhaus, N.J, Thoden, J.B, Holden, H.M.
Deposit date:2022-08-23
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1 Å)
Cite:Investigation of the enzymes required for the biosynthesis of 2,3-diacetamido-2,3-dideoxy-d-glucuronic acid in Psychrobacter cryohalolentis K5 T.
Protein Sci., 32, 2023
8E75
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Crystal structure of Pcryo_0616, the aminotransferase required to synthesize UDP-N-acetyl-3-amino-D-glucosaminuronic acid (UDP-GlcNAc3NA)
Descriptor: 1,2-ETHANEDIOL, DegT/DnrJ/EryC1/StrS aminotransferase, SODIUM ION
Authors:Hofmeister, D.L, Seltzner, C.A, Bockhaus, N.J, thoden, J.B, Holden, H.M.
Deposit date:2022-08-23
Release date:2022-11-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Investigation of the enzymes required for the biosynthesis of 2,3-diacetamido-2,3-dideoxy-d-glucuronic acid in Psychrobacter cryohalolentis K5 T.
Protein Sci., 32, 2023
8E62
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STRUCTURE OF Pcryo_0615 from Psychrobacter cryohalolentis, an N-acetyltransferase required to produce Diacetamido-2,3-dideoxy-D-glucuronic acid
Descriptor: (2S,3S,4R,5R,6R)-5-(acetylamino)-4-amino-6-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydro-2H-pyran-2-carboxylic acid, COENZYME A, SODIUM ION, ...
Authors:Hofmeister, D.L, Bockhaus, N.J, Seltzner, C.A, Thoden, J.B, Holden, H.M.
Deposit date:2022-08-22
Release date:2022-11-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Investigation of the enzymes required for the biosynthesis of 2,3-diacetamido-2,3-dideoxy-d-glucuronic acid in Psychrobacter cryohalolentis K5 T.
Protein Sci., 32, 2023
7R7S
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p47-bound p97-R155H mutant with ATPgammaS
Descriptor: NSFL1 cofactor p47, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase
Authors:Nandi, P, Li, S, Coulmbres, R.C.A, Wang, F, Williams, D.R, Malyutin, A.G, Poh, Y.-P, Chou, T.-F, Chiu, P.-L.
Deposit date:2021-06-25
Release date:2021-08-04
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (4.23 Å)
Cite:Structural and Functional Analysis of Disease-Linked p97 ATPase Mutant Complexes.
Int J Mol Sci, 22, 2021
7R7T
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p47-bound p97-R155H mutant with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, NSFL1 cofactor p47, Transitional endoplasmic reticulum ATPase
Authors:Nandi, P, Li, S, Coulmbres, R.C.A, Wang, F, Williams, D.R, Malyutin, A.G, Poh, Y.-P, Chou, T.-F, Chiu, P.-L.
Deposit date:2021-06-25
Release date:2021-08-04
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural and Functional Analysis of Disease-Linked p97 ATPase Mutant Complexes.
Int J Mol Sci, 22, 2021
7R7U
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D1 and D2 domain structure of the p97(R155H)-p47 complex
Descriptor: Transitional endoplasmic reticulum ATPase
Authors:Nandi, P, Li, S, Coulmbres, R.C.A, Wang, F, Williams, D.R, Poh, Y.-P, Chou, T.-F, Chiu, P.-L.
Deposit date:2021-06-25
Release date:2021-08-04
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structural and Functional Analysis of Disease-Linked p97 ATPase Mutant Complexes.
Int J Mol Sci, 22, 2021
7RSO
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AMC016 SOSIP.v4.2 in complex with PGV04 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AMC016 gp120, ...
Authors:Bader, D.L.V, Cottrell, C.A, Ward, A.B.
Deposit date:2021-08-11
Release date:2021-09-15
Last modified:2022-01-26
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:The Glycan Hole Area of HIV-1 Envelope Trimers Contributes Prominently to the Induction of Autologous Neutralization.
J.Virol., 96, 2022
8EB2
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Structure of HLA-A*02:01 in complex with NY-ESO-1 peptide and PA2.1 Fab
Descriptor: Beta-2-microglobulin, HLA-A*02:01 alpha chain, NY-ESO-1 peptide, ...
Authors:Jette, C.A, West, A.P.
Deposit date:2022-08-30
Release date:2022-11-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:HLA-A∗02-gated safety switch for cancer therapy has exquisite specificity for its allelic target antigen.
Mol Ther Oncolytics, 27, 2022
7RSN
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AMC018 SOSIP.v4.2 in complex with PGV04 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AMC018 gp120, ...
Authors:Cottrell, C.A, Ward, A.B.
Deposit date:2021-08-11
Release date:2021-09-15
Last modified:2022-01-26
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:The Glycan Hole Area of HIV-1 Envelope Trimers Contributes Prominently to the Induction of Autologous Neutralization.
J.Virol., 96, 2022
7RKS
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Structure of the SARS-CoV receptor binding domain in complex with the human neutralizing antibody Fab fragment, C118
Descriptor: 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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, C118 Antibody Fab Heavy Chain, ...
Authors:Jette, C.A, Bjorkman, P.J, Barnes, C.O.
Deposit date:2021-07-22
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Broad cross-reactivity across sarbecoviruses exhibited by a subset of COVID-19 donor-derived neutralizing antibodies.
Cell Rep, 36, 2021
7RKV
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Structure of the SARS-CoV-2 S 6P trimer in complex with neutralizing antibody C118 (State 1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, C118 Fab Heavy Chain, C118 Fab Light Chain, ...
Authors:Barnes, C.O, Jette, C.A, Bjorkman, P.J.
Deposit date:2021-07-22
Release date:2021-09-22
Last modified:2021-10-13
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Broad cross-reactivity across sarbecoviruses exhibited by a subset of COVID-19 donor-derived neutralizing antibodies.
Cell Rep, 36, 2021
7RKU
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Structure of the SARS-CoV-2 receptor binding domain in complex with the human neutralizing antibody Fab fragment, C022
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, C022 Antibody Fab Heavy Chain, C022 Antibody Fab Light Chain, ...
Authors:Jette, C.A, Bjorkman, P.J, Barnes, C.O.
Deposit date:2021-07-22
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Broad cross-reactivity across sarbecoviruses exhibited by a subset of COVID-19 donor-derived neutralizing antibodies.
Cell Rep, 36, 2021
7RRM
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Structure of the human TMED1 (p24gamma1) Golgi dynamics Domain
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, Transmembrane emp24 domain-containing protein 1
Authors:Mota, D.C.A.M, Cardoso, I.A, Mori, R.M, Mendes, L.F.S, Nonato, M.C, Filho, A.J.C.
Deposit date:2021-08-10
Release date:2021-10-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structural and thermodynamic analyses of human TMED1 (p24 gamma 1) Golgi dynamics.
Biochimie, 192, 2022
7QD8
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BU of 7qd8 by Molmil
Cryo-EM structure of Tn4430 TnpA transposase from Tn3 family in apo state
Descriptor: Transposase for transposon Tn4430
Authors:Shkumatov, A.V, Oger, C.A, Aryanpour, N, Hallet, B.F, Efremov, R.G.
Deposit date:2021-11-26
Release date:2022-10-26
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural insight into Tn3 family transposition mechanism.
Nat Commun, 13, 2022
7QD4
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Cryo-EM structure of Tn4430 TnpA transposase from Tn3 family in complex with 100 bp long transposon end DNA
Descriptor: IR100 DNA substrate, none transferred strand, transferred strand, ...
Authors:Shkumatov, A.V, Oger, C.A, Aryanpour, N, Hallet, B.F, Efremov, R.G.
Deposit date:2021-11-26
Release date:2022-10-26
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural insight into Tn3 family transposition mechanism.
Nat Commun, 13, 2022
7QD6
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Cryo-EM structure of Tn4430 TnpA transposase from Tn3 family in complex with strand-transfer like DNA product
Descriptor: IR71st non transferred strand, IR71st transferred strand, Transposase for transposon Tn4430
Authors:Shkumatov, A.V, Oger, C.A, Aryanpour, N, Hallet, B.F, Efremov, R.G.
Deposit date:2021-11-26
Release date:2022-10-26
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural insight into Tn3 family transposition mechanism.
Nat Commun, 13, 2022
7QD5
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Cryo-EM structure of Tn4430 TnpA transposase from Tn3 family in complex with 48 bp long transposon end DNA
Descriptor: IR48 DNA substrate, non transferred strand, IR48 transferred strand, ...
Authors:Shkumatov, A.V, Oger, C.A, Aryanpour, N, Hallet, B.F, Efremov, R.G.
Deposit date:2021-11-26
Release date:2022-10-26
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insight into Tn3 family transposition mechanism.
Nat Commun, 13, 2022
7PZT
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BU of 7pzt by Molmil
Structure of the bacterial toxin, TecA, an asparagine deamidase from Alcaligenes faecalis.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Urea amidohydrolase
Authors:Dix, S.R, Aziz, A.A, Baker, P.J, Evans, C.A, Dickman, M.J, Farthing, R.J, King, Z.L.S, Nathan, S, Partridge, L.J, Raih, F.M, Sedelnikova, S.E, Thomas, M.S, Rice, D.W.
Deposit date:2021-10-13
Release date:2022-11-02
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:The structure of A. faecalis TecA provides insights into its role as an asparagine deamidase toxin which targets RhoA
To Be Published
7RRC
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IDO1 IN COMPLEX WITH COMPOUND 14
Descriptor: Indoleamine 2,3-dioxygenase 1, N-(4-fluorophenyl)-3-{4-[4-(hydroxymethyl)-6-(trifluoromethyl)pyridin-3-yl]phenyl}oxetane-3-carboxamide
Authors:Lesburg, C.A.
Deposit date:2021-08-09
Release date:2022-03-16
Last modified:2022-05-11
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Oxetane Promise Delivered: Discovery of Long-Acting IDO1 Inhibitors Suitable for Q3W Oral or Parenteral Dosing.
J.Med.Chem., 65, 2022
7RRB
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BU of 7rrb by Molmil
IDO1 IN COMPLEX WITH COMPOUND 9
Descriptor: 3-[4-(6-cyclopropylpyridin-3-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide, Indoleamine 2,3-dioxygenase 1
Authors:Lesburg, C.A.
Deposit date:2021-08-09
Release date:2022-03-16
Last modified:2022-05-11
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Oxetane Promise Delivered: Discovery of Long-Acting IDO1 Inhibitors Suitable for Q3W Oral or Parenteral Dosing.
J.Med.Chem., 65, 2022
8DSU
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Crystal Structure of SARS CoV-2 Mpro with Pfizer Intravenous Inhibitor PF-00835231
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Shaqra, A.M, Schiffer, C.A.
Deposit date:2022-07-22
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Crystal Structures of Inhibitor-Bound Main Protease from Delta- and Gamma-Coronaviruses.
Viruses, 15, 2023
8E7C
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Crystal Structure of Porcine Deltacoronavirus (HKU-15) Mpro with Pfizer Intravenous Inhibitor PF-00835231
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Main Protease, ...
Authors:Shaqra, A.M, Schiffer, C.A.
Deposit date:2022-08-23
Release date:2023-03-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Crystal Structures of Inhibitor-Bound Main Protease from Delta- and Gamma-Coronaviruses.
Viruses, 15, 2023

224004

PDB entries from 2024-08-21

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