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5M4H
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BU of 5m4h by Molmil
Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase
Descriptor: Heat shock protein HSP 90-alpha, SULFATE ION, [2,4-bis(oxidanyl)phenyl]-[(7~{S})-7-(trifluoromethyl)-6,7-dihydro-5~{H}-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
Authors:Baker, L.M, Brough, P, Surgenor, A.
Deposit date:2016-10-18
Release date:2017-02-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase.
J. Med. Chem., 60, 2017
5M4M
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BU of 5m4m by Molmil
Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase
Descriptor: CHLORIDE ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, ...
Authors:Baker, L.M, Brough, P, Surgenor, A.
Deposit date:2016-10-18
Release date:2017-02-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase.
J. Med. Chem., 60, 2017
5M4P
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BU of 5m4p by Molmil
Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase
Descriptor: CHLORIDE ION, N-(2-AMINOETHYL)-2-{3-CHLORO-4-[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, ...
Authors:Baker, L.M, Brough, P, Surgenor, A.
Deposit date:2016-10-18
Release date:2017-02-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase.
J. Med. Chem., 60, 2017
5M4E
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BU of 5m4e by Molmil
Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase
Descriptor: Heat shock protein HSP 90-alpha, SULFATE ION, ~{N}-[2-(ethylamino)-2-oxidanylidene-ethyl]-~{N}-(4-methoxyphenyl)-2,4-bis(oxidanyl)benzamide
Authors:Baker, L.M.
Deposit date:2016-10-18
Release date:2017-02-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Application of Off-Rate Screening in the Identification of Novel Pan-Isoform Inhibitors of Pyruvate Dehydrogenase Kinase.
J. Med. Chem., 60, 2017
8DK7
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BU of 8dk7 by Molmil
Crystal structure of theophylline aptamer soaked with TAL2
Descriptor: FAB heavy chain, FAB light chain, RNA (34-MER)
Authors:Menichelli, E, Spraggon, G.
Deposit date:2022-07-04
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Discovery of small molecules that target a tertiary-structured RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
8D2B
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BU of 8d2b by Molmil
Crystal structure of theophylline aptamer in complex with TAL2
Descriptor: 6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-ol, MAGNESIUM ION, RNA (33-MER), ...
Authors:Menichelli, E, Spraggon, G.
Deposit date:2022-05-28
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Discovery of small molecules that target a tertiary-structured RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
8D28
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BU of 8d28 by Molmil
Crystal structure of theophylline aptamer in complex with theophylline
Descriptor: MAGNESIUM ION, RNA (33-MER), SODIUM ION, ...
Authors:Menichelli, E, Spraggon, G.
Deposit date:2022-05-28
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Discovery of small molecules that target a tertiary-structured RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
8D2A
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BU of 8d2a by Molmil
Crystal structure of theophylline aptamer in complex with TAL3
Descriptor: 6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-ol, MAGNESIUM ION, RNA (33-MER), ...
Authors:Menichelli, E, Spraggon, G.
Deposit date:2022-05-28
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Discovery of small molecules that target a tertiary-structured RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
8D5O
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BU of 8d5o by Molmil
Crystal structure of theophylline aptamer in complex with TAL4
Descriptor: 4-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]butan-1-ol, RNA (33-MER)
Authors:Menichelli, E, Spraggon, G.
Deposit date:2022-06-05
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of small molecules that target a tertiary-structured RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
8D5L
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BU of 8d5l by Molmil
Crystal structure of theophylline aptamer in complex with TAL1
Descriptor: 4-amino-8-methylpteridine-2,7(1H,8H)-dione, CALCIUM ION, MAGNESIUM ION, ...
Authors:Menichelli, E, Spraggon, G.
Deposit date:2022-06-05
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Discovery of small molecules that target a tertiary-structured RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
8D29
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BU of 8d29 by Molmil
Crystal structure of theophylline aptamer - apo form
Descriptor: Fab heavy chain, Fab light chain, POTASSIUM ION, ...
Authors:Menichelli, E, Spraggon, G.
Deposit date:2022-05-28
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Discovery of small molecules that target a tertiary-structured RNA.
Proc.Natl.Acad.Sci.USA, 119, 2022
8IX3
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BU of 8ix3 by Molmil
Cryo-EM structure of SARS-CoV-2 BA.4/5 spike protein in complex with 1G11 (local refinement)
Descriptor: BA.4/5 variant spike protein, heavy chain of 1G11, light chain of 1G11
Authors:Sun, H, Jiang, Y, Zheng, Z, Zheng, Q, Li, S.
Deposit date:2023-03-31
Release date:2023-11-15
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (3.98 Å)
Cite:Structural basis for broad neutralization of human antibody against Omicron sublineages and evasion by XBB variant.
J.Virol., 97, 2023
8XQ8
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BU of 8xq8 by Molmil
Structure of the sea urchin spSLC9C1 in state-1 w/ cAMP protomer
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Sperm-specific sodium proton exchanger
Authors:Qu, H, Zheng, X.
Deposit date:2024-01-04
Release date:2024-07-17
Method:ELECTRON MICROSCOPY (3.35 Å)
Cite:Structures of a sperm-specific sodium-hydrogen exchanger.
Cell Insight, 3, 2024
8XQ7
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BU of 8xq7 by Molmil
Structure of the sea urchin spSLC9C1 in state-1 w/ cAMP dimer
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Sperm-specific sodium proton exchanger
Authors:Qu, H, Zheng, X.
Deposit date:2024-01-04
Release date:2024-07-17
Method:ELECTRON MICROSCOPY (3.15 Å)
Cite:Structures of a sperm-specific sodium-hydrogen exchanger.
Cell Insight, 3, 2024
8XQ9
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BU of 8xq9 by Molmil
Structure of the sea urchin spSLC9C1 in state-2 w/ cAMP dimer
Descriptor: Sperm-specific sodium proton exchanger
Authors:Qu, H, Zheng, X.
Deposit date:2024-01-04
Release date:2024-07-17
Method:ELECTRON MICROSCOPY (3.77 Å)
Cite:Structures of a sperm-specific sodium-hydrogen exchanger.
Cell Insight, 3, 2024
8XPQ
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BU of 8xpq by Molmil
Structure of the sea urchin spSLC9C1 in state-2 w/o cAMP dimer
Descriptor: Sperm-specific sodium proton exchanger
Authors:Qu, H, Zheng, X.
Deposit date:2024-01-04
Release date:2024-07-17
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structures of a sperm-specific sodium-hydrogen exchanger.
Cell Insight, 3, 2024
8XQA
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BU of 8xqa by Molmil
Structure of the sea urchin spSLC9C1 in state-3 w/ cAMP dimer
Descriptor: Sperm-specific sodium proton exchanger
Authors:Qu, H, Zheng, X.
Deposit date:2024-01-04
Release date:2024-07-17
Method:ELECTRON MICROSCOPY (3.54 Å)
Cite:Structures of a sperm-specific sodium-hydrogen exchanger.
Cell Insight, 3, 2024
8XQ4
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BU of 8xq4 by Molmil
Structure of the sea urchin spSLC9C1 in state-2 w/o cAMP protomer
Descriptor: Sperm-specific sodium proton exchanger
Authors:Qu, H, Zheng, X.
Deposit date:2024-01-04
Release date:2024-07-17
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Structures of a sperm-specific sodium-hydrogen exchanger.
Cell Insight, 3, 2024
4M58
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BU of 4m58 by Molmil
Crystal Structure of an transition metal transporter
Descriptor: Cobalamin biosynthesis protein CbiM, NICKEL (II) ION
Authors:Yu, Y, Yan, C.Y, Zhang, B, Li, X.L, Gu, J.K.
Deposit date:2013-08-08
Release date:2014-03-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Planar substrate-binding site dictates the specificity of ECF-type nickel/cobalt transporters
Cell Res., 24, 2014
7FJO
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BU of 7fjo by Molmil
Cryo-EM structure of South African (B.1.351) SARS-CoV-2 spike glycoprotein in complex with three T6 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, T6 heavy chain, ...
Authors:Wang, X, Zhang, L, Zhang, S, Liang, Q.
Deposit date:2021-08-04
Release date:2022-04-13
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:RBD trimer mRNA vaccine elicits broad and protective immune responses against SARS-CoV-2 variants.
Iscience, 25, 2022
5N0L
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BU of 5n0l by Molmil
The structure of the cofactor binding GAF domain of the nutrient sensor CodY from Clostridium difficile
Descriptor: GTP-sensing transcriptional pleiotropic repressor CodY, ISOLEUCINE
Authors:Levdikov, V.M, Blagova, E.V, Wilkinson, A.J, Sonenshein, A.L.
Deposit date:2017-02-03
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Impact of CodY protein on metabolism, sporulation and virulence in Clostridioides difficile ribotype 027.
Plos One, 14, 2019
7FJN
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BU of 7fjn by Molmil
Cryo-EM structure of South African (B.1.351) SARS-CoV-2 spike glycoprotein in complex with two T6 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Envelope glycoprotein, T6 heavy chain, ...
Authors:Wang, X, Zhang, L, Zhang, S, Liang, Q.
Deposit date:2021-08-04
Release date:2022-04-27
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:RBD trimer mRNA vaccine elicits broad and protective immune responses against SARS-CoV-2 variants.
Iscience, 25, 2022
8HC5
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BU of 8hc5 by Molmil
SARS-CoV-2 wildtype S1 in complex with YB9-258 Fab and R1-32 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of R1-32 Fab, Heavy chain of YB9-258 Fab, ...
Authors:Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X.
Deposit date:2022-11-01
Release date:2023-01-25
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
8HC8
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BU of 8hc8 by Molmil
SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with YB13-292 Fab, focused refinement of Fab region
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of YB13-292 Fab, Light chain of YB13-292 Fab, ...
Authors:Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X.
Deposit date:2022-11-01
Release date:2023-01-25
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (3.95 Å)
Cite:Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023
8HCB
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BU of 8hcb by Molmil
SARS-CoV-2 Omicron BA.1 spike trimer (6P) in complex with 3 YB13-292 Fabs (2 RBD up)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of YB13-292 Fab, ...
Authors:Liu, B, Gao, X, Chen, Q, Li, Z, Su, M, He, J, Xiong, X.
Deposit date:2022-11-01
Release date:2023-01-25
Last modified:2023-05-03
Method:ELECTRON MICROSCOPY (4.18 Å)
Cite:Somatically hypermutated antibodies isolated from SARS-CoV-2 Delta infected patients cross-neutralize heterologous variants.
Nat Commun, 14, 2023

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PDB entries from 2024-07-17

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