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7JUX
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BU of 7jux by Molmil
Crystal Structure of KSR1:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor Trametinib
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 1, MAGNESIUM ION, ...
Authors:Khan, Z.M, Dar, A.C.
Deposit date:2020-08-20
Release date:2020-09-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Structural basis for the action of the drug trametinib at KSR-bound MEK.
Nature, 588, 2020
7JUY
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BU of 7juy by Molmil
Crystal Structure of KSR1:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor Cobimetinib
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 1, MAGNESIUM ION, ...
Authors:Khan, Z.M, Dar, A.C.
Deposit date:2020-08-20
Release date:2020-10-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.096 Å)
Cite:Structural basis for the action of the drug trametinib at KSR-bound MEK.
Nature, 588, 2020
7JUU
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BU of 7juu by Molmil
Crystal Structure of KSR2:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor PD0325901
Descriptor: Dual specificity mitogen-activated protein kinase kinase 1, Kinase suppressor of Ras 2, MAGNESIUM ION, ...
Authors:Khan, Z.M, Dar, A.C.
Deposit date:2020-08-20
Release date:2020-09-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structural basis for the action of the drug trametinib at KSR-bound MEK.
Nature, 588, 2020
3FRS
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BU of 3frs by Molmil
Structure of human IST1(NTD) (residues 1-189)(p43212)
Descriptor: GLYCEROL, Uncharacterized protein KIAA0174
Authors:Schubert, H.L, Hill, C.P, Bajorek, M, Sundquist, W.I.
Deposit date:2009-01-08
Release date:2009-06-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural basis for ESCRT-III protein autoinhibition.
Nat.Struct.Mol.Biol., 16, 2009
1MDI
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BU of 1mdi by Molmil
HIGH RESOLUTION SOLUTION NMR STRUCTURE OF MIXED DISULFIDE INTERMEDIATE BETWEEN MUTANT HUMAN THIOREDOXIN AND A 13 RESIDUE PEPTIDE COMPRISING ITS TARGET SITE IN HUMAN NFKB
Descriptor: TARGET SITE IN HUMAN NFKB, THIOREDOXIN
Authors:Clore, G.M, Qin, J, Gronenborn, A.M.
Deposit date:1995-02-27
Release date:1995-06-03
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Solution structure of human thioredoxin in a mixed disulfide intermediate complex with its target peptide from the transcription factor NF kappa B.
Structure, 3, 1995
1MDK
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BU of 1mdk by Molmil
HIGH RESOLUTION SOLUTION NMR STRUCTURE OF MIXED DISULFIDE INTERMEDIATE BETWEEN HUMAN THIOREDOXIN (C35A, C62A, C69A, C73A) MUTANT AND A 13 RESIDUE PEPTIDE COMPRISING ITS TARGET SITE IN HUMAN NFKB (RESIDUES 56-68 OF THE P50 SUBUNIT OF NFKB)
Descriptor: TARGET SITE IN HUMAN NFKB, THIOREDOXIN
Authors:Clore, G.M, Qin, J, Gronenborn, A.M.
Deposit date:1995-02-27
Release date:1995-06-03
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Solution structure of human thioredoxin in a mixed disulfide intermediate complex with its target peptide from the transcription factor NF kappa B.
Structure, 3, 1995
1MDJ
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BU of 1mdj by Molmil
HIGH RESOLUTION SOLUTION NMR STRUCTURE OF MIXED DISULFIDE INTERMEDIATE BETWEEN HUMAN THIOREDOXIN (C35A, C62A, C69A, C73A) MUTANT AND A 13 RESIDUE PEPTIDE COMPRISING ITS TARGET SITE IN HUMAN NFKB (RESIDUES 56-68 OF THE P50 SUBUNIT OF NFKB)
Descriptor: TARGET SITE IN HUMAN NFKB, THIOREDOXIN
Authors:Clore, G.M, Qin, J, Gronenborn, A.M.
Deposit date:1995-02-27
Release date:1995-06-03
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Solution structure of human thioredoxin in a mixed disulfide intermediate complex with its target peptide from the transcription factor NF kappa B.
Structure, 3, 1995
3GGX
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BU of 3ggx by Molmil
HIV Protease, pseudo-symmetric inhibitors
Descriptor: V-1 protease, methyl [(1S)-1-{[(1R,3S,4S)-4-{[(2S)-3,3-dimethyl-2-{3-[(6-methylpyridin-2-yl)methyl]-2-oxo-2,3-dihydro-1H-imidazol-1-yl}butanoyl]amino}-3-hydroxy-5-phenyl-1-(4-pyridin-2-ylbenzyl)pentyl]carbamoyl}-2,2-dimethylpropyl]carbamate
Authors:Stoll, V.S.
Deposit date:2009-03-02
Release date:2009-05-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:2-Pyridyl P1'-substituted symmetry-based human immunodeficiency virus protease inhibitors (A-792611 and A-790742) with potential for convenient dosing and reduced side effects.
J.Med.Chem., 52, 2009
3HAW
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BU of 3haw by Molmil
Crystal structure of [L-Ala51/51']HIV-1 protease with reduced isostere MVT-101 inhibitor
Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION, [L-Ala51/51']HIV-1 protease
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2009-05-02
Release date:2011-04-27
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3HAU
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BU of 3hau by Molmil
Crystal structure of chemically synthesized HIV-1 protease with reduced isostere MVT-101 inhibitor
Descriptor: HIV-1 protease, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2009-05-02
Release date:2011-04-27
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3HBO
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BU of 3hbo by Molmil
Crystal structure of chemically synthesized [D-Ala51/51']HIV-1 protease
Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, [D-Ala51/51']HIV-1 protease
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2009-05-04
Release date:2010-05-26
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3HDK
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BU of 3hdk by Molmil
Crystal structure of chemically synthesized [Aib51/51']HIV-1 protease
Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, [Aib51/51']HIV-1 protease
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2009-05-07
Release date:2010-04-28
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3HLO
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BU of 3hlo by Molmil
Crystal structure of chemically synthesized 'covalent dimer' [Gly51/D-Ala51']HIV-1 protease
Descriptor: 'covalent dimer' [Gly51/D-Ala51'] HIV-1 protease, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2009-05-27
Release date:2011-07-27
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
9EZL
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BU of 9ezl by Molmil
Crystal structure of trehalose synthase mutant N253H from Deinococcus radiodurans
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, MAGNESIUM ION, ...
Authors:Ye, L.C, Chen, S.C.
Deposit date:2024-04-12
Release date:2024-09-04
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Structural and Mutational Analyses of Trehalose Synthase from Deinococcus radiodurans Reveal the Interconversion of Maltose-Trehalose Mechanism.
J.Agric.Food Chem., 72, 2024
6EE0
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BU of 6ee0 by Molmil
Crystal Structure of SNX23 PX domain
Descriptor: Kinesin-like protein KIF16B
Authors:Chandra, M, Collins, B.M.
Deposit date:2018-08-12
Release date:2018-08-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.518 Å)
Cite:Classification of the human phox homology (PX) domains based on their phosphoinositide binding specificities.
Nat Commun, 10, 2019
6EFN
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BU of 6efn by Molmil
Structure of a RiPP maturase, SkfB
Descriptor: FE2/S2 (INORGANIC) CLUSTER, IRON/SULFUR CLUSTER, MAGNESIUM ION, ...
Authors:Grell, T.A.J, Drennan, C.L.
Deposit date:2018-08-16
Release date:2018-10-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.291 Å)
Cite:Structure of a RiPP maturase, SkfB
J.Biol.Chem., 2018
6ECM
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BU of 6ecm by Molmil
Crystal Structure of SNX15 PX domain in domain swapped conformation
Descriptor: SULFATE ION, Sorting nexin-15
Authors:Chandra, M, Collins, B.M.
Deposit date:2018-08-08
Release date:2018-08-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.353 Å)
Cite:Classification of the human phox homology (PX) domains based on their phosphoinositide binding specificities.
Nat Commun, 10, 2019
6EVJ
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BU of 6evj by Molmil
Crystal structure of bat influenza A/H17N10 polymerase with viral RNA promoter and capped RNA primer
Descriptor: Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-D(*(GDM))-R(P*AP*AP*U)-3'), ...
Authors:Pflug, A, Cusack, S.
Deposit date:2017-11-01
Release date:2017-12-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Capped RNA primer binding to influenza polymerase and implications for the mechanism of cap-binding inhibitors.
Nucleic Acids Res., 46, 2018
6EUX
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BU of 6eux by Molmil
Structure of the midlink and cap-binding domains of influenza B polymerase PB2 subunit with a bound azaindazole cap-binding inhibitor
Descriptor: (2~{S},3~{S})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, Polymerase basic protein 2
Authors:Cusack, S, Gaudon, S.
Deposit date:2017-10-31
Release date:2017-12-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Capped RNA primer binding to influenza polymerase and implications for the mechanism of cap-binding inhibitors.
Nucleic Acids Res., 46, 2018
6EUV
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BU of 6euv by Molmil
Structure of the midlink and cap-binding domains of influenza A polymerase PB2 subunit with a bound azaindole cap-binding inhibitor (VX-787)
Descriptor: (2S,3S)-3-[[5-fluoranyl-2-(5-fluoranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, NICKEL (II) ION, Polymerase basic protein 2
Authors:Cusack, S, Lethier, M.
Deposit date:2017-10-31
Release date:2017-12-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Capped RNA primer binding to influenza polymerase and implications for the mechanism of cap-binding inhibitors.
Nucleic Acids Res., 46, 2018
6EUY
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BU of 6euy by Molmil
Structure of the midlink and cap-binding domains of influenza A polymerase PB2 subunit with a bound azaindazole cap-binding inhibitor
Descriptor: (2~{S},3~{S})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, Polymerase basic protein 2, SULFATE ION
Authors:Cusack, S, Gaudon, S.
Deposit date:2017-10-31
Release date:2017-12-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Capped RNA primer binding to influenza polymerase and implications for the mechanism of cap-binding inhibitors.
Nucleic Acids Res., 46, 2018
6EUW
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BU of 6euw by Molmil
Crystal structure of the cap-binding domain of the PB2 subunit of influenza A/H5N1 polymerase bound to an azaindazole inhibitor
Descriptor: (2~{S},3~{S})-3-[[5-fluoranyl-2-(5-fluoranyl-1~{H}-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid, GLYCEROL, Polymerase basic protein 2
Authors:Cusack, S, Gaudon, S.
Deposit date:2017-10-31
Release date:2017-12-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1 Å)
Cite:Capped RNA primer binding to influenza polymerase and implications for the mechanism of cap-binding inhibitors.
Nucleic Acids Res., 46, 2018
6EVK
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BU of 6evk by Molmil
Crystal structure of bat influenza A/H17N10 polymerase with viral RNA promoter and cap analogue m7GTP
Descriptor: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, PHOSPHATE ION, Polymerase acidic protein, ...
Authors:Pflug, A, Cusack, S.
Deposit date:2017-11-01
Release date:2017-12-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Capped RNA primer binding to influenza polymerase and implications for the mechanism of cap-binding inhibitors.
Nucleic Acids Res., 46, 2018
6FWZ
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BU of 6fwz by Molmil
Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1) (V264G mutant) in complex with UDP-GlcNAc
Descriptor: (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, MAGNESIUM ION, UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, ...
Authors:Pike, A.C.W, Dong, Y.Y, Chu, A, Tessitore, A, Goubin, S, Dong, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Berridge, G, Wang, D, Kupinska, K, Belaya, K, Beeson, D, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2018-03-07
Release date:2018-07-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.
Cell, 175, 2018
6FM9
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BU of 6fm9 by Molmil
Crystal structure of human UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase (DPAGT1)
Descriptor: (2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE, UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase
Authors:Pike, A.C.W, Dong, Y.Y, Chu, A, Tessitore, A, Goubin, S, Dong, L, Mukhopadhyay, S, Mahajan, P, Chalk, R, Berridge, G, Wang, D, Kupinska, K, Belaya, K, Beeson, D, Burgess-Brown, N, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2018-01-30
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structures of DPAGT1 Explain Glycosylation Disease Mechanisms and Advance TB Antibiotic Design.
Cell, 175, 2018

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