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6Q8O
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BU of 6q8o by Molmil
Respiratory complex I from Thermus thermophilus with bound Piericidin A
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ...
Authors:Gutierrez-Fernandez, J, Minhas, G.S, Sazanov, L.A.
Deposit date:2018-12-15
Release date:2020-09-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.605 Å)
Cite:Key role of quinone in the mechanism of respiratory complex I.
Nat Commun, 11, 2020
8D3G
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BU of 8d3g by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) W196A mutant complexed with 6-chloroquinolin-4-amine
Descriptor: 1,2-ETHANEDIOL, 6-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 (2.58 Å)
Cite:Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
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
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
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
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
5XMC
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BU of 5xmc by Molmil
Crystal structure of the auto-inhibited Nedd4 family E3 ligase Itch
Descriptor: E3 ubiquitin-protein ligase Itchy
Authors:Shan, Z, Wen, W.
Deposit date:2017-05-13
Release date:2017-08-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Allosteric auto-inhibition and activation of the Nedd4 family E3 ligase Itch
EMBO Rep., 18, 2017
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
6QCD
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BU of 6qcd by Molmil
Human Sirt6 in complex with ADP-ribose and the activator quercetin
Descriptor: 1,2-ETHANEDIOL, 3,5,7,3',4'-PENTAHYDROXYFLAVONE, NAD-dependent protein deacetylase sirtuin-6, ...
Authors:You, W, Steegborn, C.
Deposit date:2018-12-27
Release date:2019-12-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural basis for the activation and inhibition of Sirtuin 6 by quercetin and its derivatives.
Sci Rep, 9, 2019
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
5XLN
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BU of 5xln by Molmil
Crystal structure of the TRS_UNE-T and 4EHP complex
Descriptor: Eukaryotic translation initiation factor 4E type 2, Threonine--tRNA ligase, cytoplasmic
Authors:Hwang, J, Nguyen, L.T, Kim, M.H.
Deposit date:2017-05-11
Release date:2018-11-21
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A threonyl-tRNA synthetase-mediated translation initiation machinery.
Nat Commun, 10, 2019
6QE0
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BU of 6qe0 by Molmil
Structure of E.coli RlmJ in complex with a bisubstrate analogue (BA2)
Descriptor: (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[2-[[9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethyl]amino]-2-azanyl-butanoic acid, Ribosomal RNA large subunit methyltransferase J
Authors:Oerum, S, Catala, M, Atdjian, C, Brachet, F, Ponchon, L, Barraud, P, Iannazzo, L, Droogmans, L, Braud, E, Etheve-Quelquejeu, M, Tisne, C.
Deposit date:2019-01-03
Release date:2019-03-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.394 Å)
Cite:Bisubstrate analogues as structural tools to investigate m6A methyltransferase active sites.
Rna Biol., 16, 2019
6QDX
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BU of 6qdx by Molmil
Structure of E.coli RlmJ in complex with a bisubstrate analogue (BA4)
Descriptor: (2~{S})-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[[9-[(2~{S},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]propyl]amino]-2-azanyl-butanoic acid, Ribosomal RNA large subunit methyltransferase J
Authors:Oerum, S, Catala, M, Atdjian, C, Brachet, F, Ponchon, L, Barraud, P, Iannazzo, L, Droogmans, L, Braud, E, Etheve-Quelquejeu, M, Tisne, C.
Deposit date:2019-01-03
Release date:2019-03-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Bisubstrate analogues as structural tools to investigate m6A methyltransferase active sites.
Rna Biol., 16, 2019
5GSR
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BU of 5gsr by Molmil
Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide I5A
Descriptor: 9-mer peptide from Spike protein, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ...
Authors:Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F.
Deposit date:2016-08-17
Release date:2017-04-26
Method:X-RAY DIFFRACTION (2.198 Å)
Cite:Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC.
J. Immunol., 198, 2017
5GR9
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BU of 5gr9 by Molmil
Crystal structure of PXY-TDIF/CLE41
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Leucine-rich repeat receptor-like protein kinase TDR, TDIF/CLE41
Authors:Chai, J.J, Zhang, H.Q.
Deposit date:2016-08-08
Release date:2016-11-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.767 Å)
Cite:Crystal structure of PXY-TDIF complex reveals a conserved recognition mechanism among CLE peptide-receptor pairs
Cell Res., 26, 2016
6QHT
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BU of 6qht by Molmil
Time resolved structural analysis of the full turnover of an enzyme - 376 ms
Descriptor: Fluoroacetate dehalogenase, fluoroacetic acid
Authors:Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D.
Deposit date:2019-01-17
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
5GSB
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BU of 5gsb by Molmil
Mouse MHC class I H-2Kd with a MERS-CoV-derived peptide 37-3
Descriptor: Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-D alpha chain, ...
Authors:Liu, K, Chai, Y, Qi, J, Tan, W, Liu, W.J, Gao, G.F.
Deposit date:2016-08-15
Release date:2017-07-12
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Protective T Cell Responses Featured by Concordant Recognition of Middle East Respiratory Syndrome Coronavirus-Derived CD8+ T Cell Epitopes and Host MHC.
J. Immunol., 198, 2017
8D53
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BU of 8d53 by Molmil
Crystal Structure of Mosaic HIV-1 Envelope (MosM3.3) in Complex with antibodies PGT124 and 35O22 at 3.25 Angstrom
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22scFV Heavy chain variable, ...
Authors:Xian, Y, Wilson, I.A.
Deposit date:2022-06-03
Release date:2024-07-24
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Structural and Antigenic Characterization of B Cell Mosaic Env Trimers
To Be Published
6QI2
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BU of 6qi2 by Molmil
Time resolved structural analysis of the full turnover of an enzyme - 13536 ms
Descriptor: Fluoroacetate dehalogenase, GLYCOLIC ACID
Authors:Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D.
Deposit date:2019-01-17
Release date:2019-09-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
5GSN
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BU of 5gsn by Molmil
Tmm in complex with methimazole
Descriptor: 1-METHYL-1,3-DIHYDRO-2H-IMIDAZOLE-2-THIONE, FLAVIN-ADENINE DINUCLEOTIDE, Flavin-containing monooxygenase, ...
Authors:Zhang, Y.Z, Li, C.Y.
Deposit date:2016-08-16
Release date:2017-01-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.203 Å)
Cite:Structural mechanism for bacterial oxidation of oceanic trimethylamine into trimethylamine N-oxide
Mol. Microbiol., 103, 2017
6QHZ
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BU of 6qhz by Molmil
Time resolved structural analysis of the full turnover of an enzyme - 6788 ms
Descriptor: Fluoroacetate dehalogenase, fluoroacetic acid
Authors:Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D.
Deposit date:2019-01-17
Release date:2019-09-25
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
6QKW
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BU of 6qkw by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Tyr219Phe - Fluoroacetate soaked 2hr
Descriptor: CHLORIDE ION, Fluoroacetate dehalogenase, GLYCOLIC ACID, ...
Authors:Mehrabi, P, Kim, T.H, Prosser, R.S, Pai, E.F.
Deposit date:2019-01-30
Release date:2019-06-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.512 Å)
Cite:Substrate-Based Allosteric Regulation of a Homodimeric Enzyme.
J.Am.Chem.Soc., 141, 2019
5GWJ
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BU of 5gwj by Molmil
Structure of a Human topoisomerase IIbeta fragment in complex with DNA and E7873S
Descriptor: DNA (5'-D(P*AP*GP*CP*CP*GP*AP*GP*C)-3'), DNA (5'-D(P*TP*GP*CP*AP*GP*CP*TP*CP*GP*GP*CP*T)-3'), DNA topoisomerase 2-beta, ...
Authors:Wang, Y.R, Chen, S.F, Wu, C.C, Chan, N.L.
Deposit date:2016-09-12
Release date:2017-08-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.566 Å)
Cite:Producing irreversible topoisomerase II-mediated DNA breaks by site-specific Pt(II)-methionine coordination chemistry
Nucleic Acids Res., 45, 2017
8EEW
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BU of 8eew by Molmil
CryoEM of the soluble OPA1 dimer from the GDP-AlFx bound helical assembly on a lipid membrane
Descriptor: Dynamin-like 120 kDa protein, form S1, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Nyenhuis, S.B, Wu, X, Stanton, A.E, Strub, M.P, Yim, Y.I, Canagarajah, B, Hinshaw, J.E.
Deposit date:2022-09-07
Release date:2023-06-28
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (5.48 Å)
Cite:OPA1 helical structures give perspective to mitochondrial dysfunction.
Nature, 620, 2023

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