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6AEI
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BU of 6aei by Molmil
Cryo-EM structure of the receptor-activated TRPC5 ion channel
Descriptor: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ...
Authors:Duan, J, Li, Z, Li, J, Zhang, J.
Deposit date:2018-08-05
Release date:2019-08-07
Last modified:2019-08-14
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Cryo-EM structure of TRPC5 at 2.8- angstrom resolution reveals unique and conserved structural elements essential for channel function.
Sci Adv, 5, 2019
4LN2
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BU of 4ln2 by Molmil
The second SH3 domain from CAP/Ponsin in complex with proline rich peptide from Vinculin
Descriptor: Sorbin and SH3 domain-containing protein 1, proline rich peptide
Authors:Zhao, D, Li, F, Wu, J, Shi, Y, Zhang, Z, Gong, Q.
Deposit date:2013-07-11
Release date:2014-05-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structural investigation of the interaction between the tandem SH3 domains of c-Cbl-associated protein and vinculin
J.Struct.Biol., 187, 2014
4LNP
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BU of 4lnp by Molmil
The first SH3 domain from CAP/Ponsin in complex with proline rich peptide from Vinculin
Descriptor: Sorbin and SH3 domain-containing protein 1, Vinculin
Authors:Zhao, D, Li, F, Wu, J, Shi, Y, Zhang, Z, Gong, Q.
Deposit date:2013-07-11
Release date:2014-05-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Structural investigation of the interaction between the tandem SH3 domains of c-Cbl-associated protein and vinculin
J.Struct.Biol., 187, 2014
6O8O
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BU of 6o8o by Molmil
Crystal Structure of C9S disulfide state of Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulatus.
Descriptor: CHLORIDE ION, SULFATE ION, Transcriptional regulator, ...
Authors:Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P.
Deposit date:2019-03-11
Release date:2020-04-01
Last modified:2020-12-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for persulfide-sensing specificity in a transcriptional regulator.
Nat.Chem.Biol., 17, 2021
6O8K
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BU of 6o8k by Molmil
Crystal Structure of apo and reduced Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulatus.
Descriptor: GLYCEROL, SULFATE ION, Transcriptional regulator, ...
Authors:Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P.
Deposit date:2019-03-11
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural basis for persulfide-sensing specificity in a transcriptional regulator.
Nat.Chem.Biol., 17, 2021
5ZXL
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BU of 5zxl by Molmil
Structure of GldA from E.coli
Descriptor: CHLORIDE ION, GLYCEROL, Glycerol dehydrogenase, ...
Authors:Zhang, J, Lin, L.
Deposit date:2018-05-21
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.794 Å)
Cite:Structure of glycerol dehydrogenase (GldA) from Escherichia coli.
Acta Crystallogr F Struct Biol Commun, 75, 2019
6O8M
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BU of 6o8m by Molmil
Crystal Structure of C9S apo Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulated bound to diamide (tetramethylazodicarboxamide).
Descriptor: N~1~,N~1~,N~2~,N~2~-tetramethylhydrazine-1,2-dicarboxamide, Transcriptional regulator, ArsR family
Authors:Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P.
Deposit date:2019-03-11
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Structural basis for persulfide-sensing specificity in a transcriptional regulator.
Nat.Chem.Biol., 17, 2021
6O8N
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BU of 6o8n by Molmil
Crystal Structure of C9S tetrasulfide state of Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulatus.
Descriptor: SULFATE ION, Transcriptional regulator, ArsR family
Authors:Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P.
Deposit date:2019-03-11
Release date:2020-04-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for persulfide-sensing specificity in a transcriptional regulator.
Nat.Chem.Biol., 17, 2021
6LHD
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BU of 6lhd by Molmil
Crystal structure of p53/BCL-xL fusion complex
Descriptor: ZINC ION, fusion protein of Bcl-2-like protein 1 and Isoform 6 of Cellular tumor antigen p53
Authors:Wei, H, Chen, Y.
Deposit date:2019-12-07
Release date:2021-03-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:Structural insight into the molecular mechanism of p53-mediated mitochondrial apoptosis.
Nat Commun, 12, 2021
1FSA
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BU of 1fsa by Molmil
THE T-STATE STRUCTURE OF LYS 42 TO ALA MUTANT OF THE PIG KIDNEY FRUCTOSE 1,6-BISPHOSPHATASE EXPRESSED IN E. COLI
Descriptor: 6-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, FRUCTOSE 1,6-BISPHOSPHATASE, ...
Authors:Lu, G, Stec, B, Giroux, E, Kantrowitz, E.R.
Deposit date:1996-08-24
Release date:1997-09-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Evidence for an active T-state pig kidney fructose 1,6-bisphosphatase: interface residue Lys-42 is important for allosteric inhibition and AMP cooperativity.
Protein Sci., 5, 1996
7QG5
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BU of 7qg5 by Molmil
IRAK4 in complex with inhibitor
Descriptor: 4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-6-pyrimidin-5-yl-pyrido[4,3-d]pyrimidin-5-one, Interleukin-1 receptor-associated kinase 4
Authors:Xue, Y, Aagaard, A, Robb, G.R, Degorce, S.L.
Deposit date:2021-12-07
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification and optimisation of a pyrimidopyridone series of IRAK4 inhibitors.
Bioorg.Med.Chem., 63, 2022
7QG2
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BU of 7qg2 by Molmil
IRAK4 in complex with inhibitor
Descriptor: 6-methyl-4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[4,3-d]pyrimidin-5-one, Interleukin-1 receptor-associated kinase 4
Authors:Xue, Y, Aagaard, A, Robb, G.R, Degorce, S.L.
Deposit date:2021-12-07
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.031 Å)
Cite:Identification and optimisation of a pyrimidopyridone series of IRAK4 inhibitors.
Bioorg.Med.Chem., 63, 2022
7QG1
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BU of 7qg1 by Molmil
IRAK4 in complex with inhibitor
Descriptor: Interleukin-1 receptor-associated kinase 4, methyl 4-[4-[[6-(cyanomethyl)-2-[(1-methylpyrazol-4-yl)amino]-5-oxidanylidene-pyrido[4,3-d]pyrimidin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate
Authors:Xue, Y, Aagaard, A, Robb, G.R, Degorce, S.L.
Deposit date:2021-12-07
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Identification and optimisation of a pyrimidopyridone series of IRAK4 inhibitors.
Bioorg.Med.Chem., 63, 2022
7QG3
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BU of 7qg3 by Molmil
IRAK4 in complex with inhibitor
Descriptor: 6-[(2~{S})-2-fluoranylpropyl]-4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[4,3-d]pyrimidin-5-one, Interleukin-1 receptor-associated kinase 4
Authors:Xue, Y, Aagaard, A, Robb, G.R, Degorce, S.L.
Deposit date:2021-12-07
Release date:2022-05-04
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Identification and optimisation of a pyrimidopyridone series of IRAK4 inhibitors.
Bioorg.Med.Chem., 63, 2022
1PPW
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BU of 1ppw by Molmil
ISOPENTENYLPYROPHOSPHATE-DIMETHYLALLYLPYROPHOSPHATE ISOMERASE IN COMPLEX WITH THE BROMOHYDRINE OF IPP
Descriptor: 4-HYDROXY-3-METHYL BUTYL DIPHOSPHATE, Isopentenyl-diphosphate delta-isomerase, MAGNESIUM ION, ...
Authors:Wouters, J, Oldfield, E.
Deposit date:2003-06-17
Release date:2004-06-24
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:A Crystallographic Investigation of Phosphoantigen Binding to Isopentenyl Pyrophosphate/Dimethylallyl Pyrophosphate Isomerase
J.Am.Chem.Soc., 127, 2005
5JDK
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BU of 5jdk by Molmil
Crystal structure of the DNA binding domain of Sap1 in fission yeast S.pombe
Descriptor: GLYCEROL, Switch-activating protein 1
Authors:He, P, Wang, T.
Deposit date:2016-04-17
Release date:2017-02-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (0.998 Å)
Cite:Sap1 is a replication-initiation factor essential for the assembly of pre-replicative complex in the fission yeast Schizosaccharomyces pombe.
J. Biol. Chem., 292, 2017
1PPV
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BU of 1ppv by Molmil
ISOPENTENYLPYROPHOSPHATE-DIMETHYLALLYLPYROPHOSPHATE ISOMERASE IN COMPLEX WITH THE BROMOHYDRINE OF IPP
Descriptor: 4-BROMO-3-HYDROXY-3-METHYL BUTYL DIPHOSPHATE, Isopentenyl-diphosphate delta-isomerase, MAGNESIUM ION, ...
Authors:Wouters, J, Oldfield, E.
Deposit date:2003-06-17
Release date:2004-06-29
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A Crystallographic Investigation of Phosphoantigen Binding to Isopentenyl Pyrophosphate/Dimethylallyl Pyrophosphate Isomerase
J.Am.Chem.Soc., 127, 2005
7PFN
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BU of 7pfn by Molmil
Crystal Structure of a Class D Carbapenemase_K73ALY Complexed with Imipenem
Descriptor: 1-BUTANOL, Beta-lactamase, Imipenem, ...
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-08-11
Release date:2022-08-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7PEH
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BU of 7peh by Molmil
Crystal Structure of a Class D Carbapenemase
Descriptor: 1-BUTANOL, Beta-lactamase
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-08-10
Release date:2022-08-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7PEI
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BU of 7pei by Molmil
Crystal Structure of a Class D carbapenemase_E185A/R186A/R206A
Descriptor: Beta-lactamase, GLYCEROL, SULFATE ION
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-08-10
Release date:2022-08-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7PEP
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BU of 7pep by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Hydrolyzed Imipenem
Descriptor: (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, 1-BUTANOL, BROMIDE ION, ...
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-08-11
Release date:2022-08-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7PSF
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BU of 7psf by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Imipenem
Descriptor: 1-BUTANOL, BROMIDE ION, Beta-lactamase, ...
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-09-23
Release date:2022-10-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7PSE
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BU of 7pse by Molmil
Crystal Structure of a Class D Carbapenemase_K73ALY Complexed with Oxacillin
Descriptor: (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid, 1-BUTANOL, Beta-lactamase, ...
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-09-23
Release date:2022-10-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7Q14
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BU of 7q14 by Molmil
Crystal Structure of a Class D Carbapenemase_K73ALY Complexed with Imipenem
Descriptor: 1-BUTANOL, BROMIDE ION, Beta-lactamase, ...
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-10-18
Release date:2022-11-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7DSL
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BU of 7dsl by Molmil
Overall structure of the LAT1-4F2hc bound with JX-078
Descriptor: (2~{S})-2-azanyl-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yan, R.H, Li, Y.N, Zhang, Y.Y, Zhong, X.Y, Zhou, Q.
Deposit date:2020-12-31
Release date:2021-03-10
Last modified:2022-06-29
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Mechanism of substrate transport and inhibition of the human LAT1-4F2hc amino acid transporter.
Cell Discov, 7, 2021

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