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4PD8
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BU of 4pd8 by Molmil
Structure of vcCNT-7C8C bound to pyrrolo-cytidine
Descriptor: 6-methyl-3-(beta-D-ribofuranosyl)-3,7-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-one, DECYL-BETA-D-MALTOPYRANOSIDE, NupC family protein, ...
Authors:Johnson, Z.L, Lee, S.-Y.
Deposit date:2014-04-17
Release date:2014-08-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters.
Elife, 3, 2014
4PD5
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BU of 4pd5 by Molmil
Crystal structure of vcCNT-7C8C bound to gemcitabine
Descriptor: DECYL-BETA-D-MALTOPYRANOSIDE, GEMCITABINE, NupC family protein, ...
Authors:Johnson, Z.L, Lee, S.-Y.
Deposit date:2014-04-17
Release date:2014-08-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.906 Å)
Cite:Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters.
Elife, 3, 2014
4PDA
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BU of 4pda by Molmil
Structure of vcCNT-7C8C bound to cytidine
Descriptor: 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, DECYL-BETA-D-MALTOPYRANOSIDE, NupC family protein, ...
Authors:Johnson, Z.L, Lee, S.-Y.
Deposit date:2014-04-17
Release date:2014-08-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.608 Å)
Cite:Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters.
Elife, 3, 2014
4PB1
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BU of 4pb1 by Molmil
Structure of vcCNT-7C8C bound to ribavirin
Descriptor: 1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide, DECYL-BETA-D-MALTOPYRANOSIDE, NupC family protein, ...
Authors:Johnson, Z.L, Lee, S.-Y.
Deposit date:2014-04-11
Release date:2014-08-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.803 Å)
Cite:Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters.
Elife, 3, 2014
4PD9
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BU of 4pd9 by Molmil
Structure of vcCNT-7C8C bound to adenosine
Descriptor: ADENOSINE, DECYL-BETA-D-MALTOPYRANOSIDE, NupC family protein, ...
Authors:Johnson, Z.L, Lee, S.-Y.
Deposit date:2014-04-17
Release date:2014-08-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.096 Å)
Cite:Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters.
Elife, 3, 2014
3TD5
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BU of 3td5 by Molmil
Crystal structure of OmpA-like domain from Acinetobacter baumannii in complex with L-Ala-gamma-D-Glu-m-DAP-D-Ala-D-Ala
Descriptor: CHLORIDE ION, Outer membrane protein omp38, peptide(L-Ala-gamma-D-Glu-m-DAP-D-Ala-D-Ala)
Authors:Park, J.S, Lee, W.C, Song, J.H, Kim, H.Y.
Deposit date:2011-08-10
Release date:2011-10-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanism of anchoring of OmpA protein to the cell wall peptidoglycan of the gram-negative bacterial outer membrane
Faseb J., 26, 2012
3TD4
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BU of 3td4 by Molmil
Crystal structure of OmpA-like domain from Acinetobacter baumannii in complex with diaminopimelate
Descriptor: 2,6-DIAMINOPIMELIC ACID, Outer membrane protein omp38
Authors:Park, J.S, Lee, W.C, Song, J.H, Kim, H.Y.
Deposit date:2011-08-10
Release date:2011-10-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Mechanism of anchoring of OmpA protein to the cell wall peptidoglycan of the gram-negative bacterial outer membrane
Faseb J., 26, 2012
3TD3
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BU of 3td3 by Molmil
Crystal structure of OmpA-like domain from Acinetobacter baumannii in complex with glycine
Descriptor: GLYCINE, Outer membrane protein omp38
Authors:Park, J.S, Lee, W.C, Song, J.H, Kim, H.Y.
Deposit date:2011-08-10
Release date:2011-10-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Mechanism of anchoring of OmpA protein to the cell wall peptidoglycan of the gram-negative bacterial outer membrane
Faseb J., 26, 2012
3KQI
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BU of 3kqi by Molmil
crystal structure of PHF2 PHD domain complexed with H3K4Me3 peptide
Descriptor: CHLORIDE ION, GLYCEROL, H3K4Me3 peptide, ...
Authors:Wen, H, Li, J.Z, Song, T, Lu, M, Lee, M.
Deposit date:2009-11-17
Release date:2010-02-02
Last modified:2019-02-13
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Recognition of histone H3K4 trimethylation by the plant homeodomain of PHF2 modulates histone demethylation.
J.Biol.Chem., 285, 2010
6JN8
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BU of 6jn8 by Molmil
Structure of H216A mutant open form peptidoglycan peptidase
Descriptor: Peptidase M23, SULFATE ION, ZINC ION
Authors:Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H.
Deposit date:2019-03-13
Release date:2020-01-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.106 Å)
Cite:Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni.
Nat Commun, 11, 2020
6JMZ
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BU of 6jmz by Molmil
Structure of H247A mutant open form peptidoglycan peptidase
Descriptor: Peptidase M23, ZINC ION
Authors:Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H.
Deposit date:2019-03-13
Release date:2020-01-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni.
Nat Commun, 11, 2020
6JMX
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BU of 6jmx by Molmil
Structure of open form of peptidoglycan peptidase
Descriptor: D(-)-TARTARIC ACID, GLYCEROL, Peptidase M23, ...
Authors:Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H.
Deposit date:2019-03-13
Release date:2020-01-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.859 Å)
Cite:Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni.
Nat Commun, 11, 2020
6JN1
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BU of 6jn1 by Molmil
Structure of H247A mutant peptidoglycan peptidase complex with penta peptide
Descriptor: C0O-DAL-DAL, Peptidase M23, ZINC ION
Authors:Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H.
Deposit date:2019-03-13
Release date:2020-01-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.382 Å)
Cite:Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni.
Nat Commun, 11, 2020
6Z3C
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BU of 6z3c by Molmil
High resolution structure of RgNanOx
Descriptor: CITRATE ANION, Gfo/Idh/MocA family oxidoreductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Naismith, J.H, Lee, M.O.
Deposit date:2020-05-19
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Uncovering a novel molecular mechanism for scavenging sialic acids in bacteria.
J.Biol.Chem., 295, 2020
6TW3
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BU of 6tw3 by Molmil
HumRadA2 in complex with Naphthyl-HPA fragment-peptide chimera
Descriptor: (2~{S})-1-[(2~{S})-2-[(3-azanylnaphthalen-2-yl)carbonylamino]-3-(1~{H}-imidazol-4-yl)propanoyl]-~{N}-[(2~{S})-1-azanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide, DNA repair and recombination protein RadA, PHOSPHATE ION
Authors:Marsh, M.E, Fischer, G, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M.
Deposit date:2020-01-12
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.352 Å)
Cite:A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
6TW4
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BU of 6tw4 by Molmil
HumRadA22F in complex with compound 6
Descriptor: CALCIUM ION, DNA repair and recombination protein RadA, ~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide
Authors:Marsh, M.E, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M.
Deposit date:2020-01-12
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
6TW9
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BU of 6tw9 by Molmil
HumRadA22F in complex with CAM833
Descriptor: CALCIUM ION, DNA repair and recombination protein RadA, GLYCEROL, ...
Authors:Fischer, G, Marsh, M.E, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M.
Deposit date:2020-01-12
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
6TV3
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BU of 6tv3 by Molmil
HumRadA1 in complex with 3-amino-2-naphthoic acid
Descriptor: 3-azanylnaphthalene-2-carboxylic acid, DNA repair and recombination protein RadA, GLYCEROL, ...
Authors:Marsh, M.E, Hyvonen, M.
Deposit date:2020-01-08
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
6XTW
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BU of 6xtw by Molmil
HumRadA33F in complex with peptidic inhibitor 6
Descriptor: DNA repair and recombination protein RadA, SULFATE ION, ~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide
Authors:Fischer, G, Marsh, M.E, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M.
Deposit date:2020-01-16
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
5C22
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BU of 5c22 by Molmil
Crystal structure of Zn-bound HlyD from E. coli
Descriptor: Chromosomal hemolysin D, ZINC ION
Authors:Ha, N.C, Kim, J.S.
Deposit date:2015-06-15
Release date:2016-02-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Crystal Structure of a Soluble Fragment of the Membrane Fusion Protein HlyD in a Type I Secretion System of Gram-Negative Bacteria
Structure, 24, 2016
5C21
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BU of 5c21 by Molmil
Crystal structure of native HlyD from E. coli
Descriptor: Chromosomal hemolysin D
Authors:Ha, N.C, Kim, J.S, Yoon, B.Y.
Deposit date:2015-06-15
Release date:2016-02-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of a Soluble Fragment of the Membrane Fusion Protein HlyD in a Type I Secretion System of Gram-Negative Bacteria
Structure, 24, 2016
7LRQ
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BU of 7lrq by Molmil
Crystal structure of human SFPQ/NONO heterodimer, conserved DBHS region
Descriptor: CHLORIDE ION, Non-POU domain-containing octamer-binding protein, Splicing factor, ...
Authors:Marshall, A.C, Bond, C.S, Mohnen, I.
Deposit date:2021-02-17
Release date:2021-05-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Paraspeckle subnuclear bodies depend on dynamic heterodimerisation of DBHS RNA-binding proteins via their structured domains.
J.Biol.Chem., 298, 2022
8S5B
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BU of 8s5b by Molmil
Crystal structure of the sulfoquinovosyl binding protein (SmoF) from A. tumefaciens sulfo-SMO pathway in complex with SQOctyl ligand
Descriptor: Sulfoquinovosyl glycerol-binding protein SmoF, [(2~{S},3~{S},4~{S},5~{R},6~{S})-6-octoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid
Authors:Snow, A.J.D, Sharma, M, Davies, G.J.
Deposit date:2024-02-23
Release date:2024-04-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Capture-and-release of a sulfoquinovose-binding protein on sulfoquinovose-modified agarose.
Org.Biomol.Chem., 22, 2024
6E2M
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BU of 6e2m by Molmil
ASK1 kinase domain complex with inhibitor
Descriptor: Mitogen-activated protein kinase kinase kinase 5, N-[3-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
Authors:Lansdon, E.B.
Deposit date:2018-07-11
Release date:2018-09-19
Last modified:2018-10-17
Method:X-RAY DIFFRACTION (2.253 Å)
Cite:ASK1 contributes to fibrosis and dysfunction in models of kidney disease.
J. Clin. Invest., 128, 2018
6E2N
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BU of 6e2n by Molmil
ASK1 kinase domain complex with inhibitor
Descriptor: Mitogen-activated protein kinase kinase kinase 5, N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide
Authors:Lansdon, E.B.
Deposit date:2018-07-11
Release date:2018-09-19
Last modified:2018-10-17
Method:X-RAY DIFFRACTION (2.098 Å)
Cite:ASK1 contributes to fibrosis and dysfunction in models of kidney disease.
J. Clin. Invest., 128, 2018

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