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8D3J
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BU of 8d3j by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) complexed with 6-fluoro-2-methylquinolin-4-amine
Descriptor: 1,2-ETHANEDIOL, 6-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 (2.4 Å)
Cite:Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
8CUU
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BU of 8cuu by Molmil
Accurate computational design of genetically encoded 3D protein crystals
Descriptor: F4132-1-0 chain A, F4132-1-0 chain B
Authors:Bera, A.K, Li, Z, Baker, D.
Deposit date:2022-05-17
Release date:2023-11-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
7S13
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BU of 7s13 by Molmil
Crystal structure of Fab in complex with mouse CD96 dimer
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, ...
Authors:Lee, P.S, Barman, I, Strop, P.
Deposit date:2021-08-31
Release date:2021-10-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Antibody blockade of CD96 by distinct molecular mechanisms.
Mabs, 13, 2021
8CUV
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BU of 8cuv by Molmil
Accurate computational design of genetically encoded 3D protein crystals
Descriptor: F4132-1 chain A, F4132-1 chain B
Authors:Bera, A.K, Li, Z, Baker, D.
Deposit date:2022-05-17
Release date:2023-11-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
8CUW
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BU of 8cuw by Molmil
Accurate computational design of genetically encoded 3D protein crystals
Descriptor: F4132-1-3 Chain A, F4132-1-3 Chain B
Authors:Bera, A.K, Li, Z, Baker, D.
Deposit date:2022-05-17
Release date:2023-11-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
8D3E
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BU of 8d3e by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) W196A mutant complexed with 6-fluoroquinolin-4-amine
Descriptor: 1,2-ETHANEDIOL, 6-fluoroquinolin-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 (2.38 Å)
Cite:Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
8D3O
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BU of 8d3o by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) complexed with 8-methoxyquinolin-4-amine
Descriptor: 1,2-ETHANEDIOL, 8-methoxyquinolin-4-amine, Apoptosis-inducing factor (AIF), ...
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
8D3I
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BU of 8d3i by Molmil
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
8D3H
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BU of 8d3h by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) W196A mutant 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 (2.51 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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BU of 8d3k by Molmil
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
7S11
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BU of 7s11 by Molmil
Crystal structure of Fab in complex with mouse CD96 monomer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab heavy chain, Fab light chain, ...
Authors:Lee, P.S, Chau, B, Strop, P.
Deposit date:2021-08-31
Release date:2021-11-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Antibody blockade of CD96 by distinct molecular mechanisms.
Mabs, 13, 2021
8BH3
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BU of 8bh3 by Molmil
DNA-PK Ku80 mediated dimer bound to PAXX
Descriptor: DNA (25-MER), DNA (26-MER), DNA (27-MER), ...
Authors:Hardwick, S.W, Chaplin, A.K.
Deposit date:2022-10-28
Release date:2023-06-07
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (4.55 Å)
Cite:PAXX binding to the NHEJ machinery explains functional redundancy with XLF.
Sci Adv, 9, 2023
7L48
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BU of 7l48 by Molmil
Cryo-EM structure of a CRISPR-Cas12f Binary Complex
Descriptor: Cas12f, ZINC ION, sgRNA
Authors:Chang, L, Li, Z.
Deposit date:2020-12-18
Release date:2021-06-02
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis for substrate recognition and cleavage by the dimerization-dependent CRISPR-Cas12f nuclease.
Nucleic Acids Res., 49, 2021
8BHV
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BU of 8bhv by Molmil
DNA-PK XLF mediated dimer bound to PAXX
Descriptor: DNA (24-MER), DNA (26-MER), DNA (27-MER), ...
Authors:Hardwick, S.W, Chaplin, A.K.
Deposit date:2022-11-01
Release date:2023-06-07
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (4.51 Å)
Cite:PAXX binding to the NHEJ machinery explains functional redundancy with XLF.
Sci Adv, 9, 2023
8BHY
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BU of 8bhy by Molmil
DNA-PK Ku80 mediated dimer bound to PAXX and XLF
Descriptor: DNA (25-MER), DNA (26-MER), DNA (27-MER), ...
Authors:Hardwick, S.W, Chaplin, A.K.
Deposit date:2022-11-01
Release date:2023-06-07
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (5.33 Å)
Cite:PAXX binding to the NHEJ machinery explains functional redundancy with XLF.
Sci Adv, 9, 2023
8SEP
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BU of 8sep by Molmil
Cryo-EM Structure of RyR1 + ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Glutathione S-transferase class-mu 26 kDa isozyme,Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ...
Authors:Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S.
Deposit date:2023-04-10
Release date:2023-05-24
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.57 Å)
Cite:Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives.
Structure, 31, 2023
8SER
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BU of 8ser by Molmil
Cryo-EM Structure of RyR1 + Adenosine
Descriptor: ADENOSINE, Glutathione S-transferase class-mu 26 kDa isozyme,Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ...
Authors:Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S.
Deposit date:2023-04-10
Release date:2023-05-24
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives.
Structure, 31, 2023
8SEQ
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BU of 8seq by Molmil
Cryo-EM Structure of RyR1 + AMP
Descriptor: ADENOSINE MONOPHOSPHATE, Glutathione S-transferase class-mu 26 kDa isozyme,Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ...
Authors:Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S.
Deposit date:2023-04-10
Release date:2023-05-24
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives.
Structure, 31, 2023
8SET
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BU of 8set by Molmil
Cryo-EM Structure of RyR1 + cAMP
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Glutathione S-transferase class-mu 26 kDa isozyme,Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ...
Authors:Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S.
Deposit date:2023-04-10
Release date:2023-05-24
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives.
Structure, 31, 2023
8SES
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BU of 8ses by Molmil
Cryo-EM Structure of RyR1 + Adenine
Descriptor: ADENINE, Glutathione S-transferase class-mu 26 kDa isozyme,Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ...
Authors:Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S.
Deposit date:2023-04-10
Release date:2023-05-24
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.98 Å)
Cite:Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives.
Structure, 31, 2023
8SEO
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BU of 8seo by Molmil
Cryo-EM Structure of RyR1 + ATP-gamma-S
Descriptor: Glutathione S-transferase class-mu 26 kDa isozyme,Peptidyl-prolyl cis-trans isomerase FKBP1B, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Ryanodine receptor 1, ...
Authors:Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S.
Deposit date:2023-04-10
Release date:2023-05-24
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.92 Å)
Cite:Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives.
Structure, 31, 2023
8SEN
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BU of 8sen by Molmil
Cryo-EM Structure of RyR1
Descriptor: Glutathione S-transferase class-mu 26 kDa isozyme,Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 1, ZINC ION
Authors:Cholak, S, Saville, J.W, Zhu, X, Berezuk, A.M, Tuttle, K.S, Haji-Ghassemi, O, Van Petegem, F, Subramaniam, S.
Deposit date:2023-04-10
Release date:2023-05-24
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Allosteric modulation of ryanodine receptor RyR1 by nucleotide derivatives.
Structure, 31, 2023
8SDB
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BU of 8sdb by Molmil
Crystal Structure of E.Coli Branching Enzyme in complex with malto-octose
Descriptor: 1,4-alpha-glucan branching enzyme GlgB, alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
Authors:Bingham, C.R, Nayebi, H, Fawaz, R, Geiger, J.H.
Deposit date:2023-04-06
Release date:2023-07-12
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Structure of Maltooctaose-Bound Escherichia coli Branching Enzyme Suggests a Mechanism for Donor Chain Specificity.
Molecules, 28, 2023
8C7Z
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BU of 8c7z by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2308
Descriptor: 1,2-ETHANEDIOL, 9-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-[1]benzoxepino[5,4-c]pyridine, AMMONIUM ION, ...
Authors:Cros, J, Williams, E.P, Sweeney, M.N, Smil, D, Gonzalez-Alvarez, H, Al-awar, R, Bullock, A.N.
Deposit date:2023-01-18
Release date:2023-02-01
Last modified:2024-08-14
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Discovery of Conformationally Constrained ALK2 Inhibitors.
J.Med.Chem., 67, 2024

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PDB entries from 2024-10-16

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