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7P2P
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BU of 7p2p by Molmil
Human Signal Peptidase Complex Paralog A (SPC-A)
Descriptor: Signal peptidase complex catalytic subunit SEC11A, Signal peptidase complex subunit 1, Signal peptidase complex subunit 2, ...
Authors:Liaci, A.M, Foerster, F.
Deposit date:2021-07-06
Release date:2021-10-06
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Structure of the human signal peptidase complex reveals the determinants for signal peptide cleavage.
Mol.Cell, 81, 2021
6OXQ
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BU of 6oxq by Molmil
HIV-1 Protease NL4-3 WT in Complex with UMass8
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-3-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-hydroxypropyl}carbamate, Protease NL4-3, SULFATE ION
Authors:Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2019-05-14
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
6OXV
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BU of 6oxv by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR-85
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(2-ethylbutyl)({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease NL4-3
Authors:Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2019-05-14
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.991 Å)
Cite:HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
6OXY
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BU of 6oxy by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR2-19
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease NL4-3, SULFATE ION
Authors:Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2019-05-14
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
1FUQ
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BU of 1fuq by Molmil
FUMARASE WITH BOUND 3-TRIMETHYLSILYLSUCCINIC ACID
Descriptor: 3-TRIMETHYLSILYLSUCCINIC ACID, CITRIC ACID, FUMARASE C
Authors:Weaver, T, Banaszak, L.
Deposit date:1996-08-29
Release date:1997-03-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic studies of the catalytic and a second site in fumarase C from Escherichia coli.
Biochemistry, 35, 1996
7P11
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BU of 7p11 by Molmil
Galectin-8 N-terminal carbohydrate recognition domain in complex with quinoline D-galactal ligand
Descriptor: 2-[[(2~{R},3~{R},4~{R})-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2~{H}-pyran-4-yl]oxymethyl]quinoline-7-carboxylic acid, CHLORIDE ION, Galectin-8, ...
Authors:Hassan, M, Hakansson, M, Nilsson, J.U, Kovacic, R.
Deposit date:2021-07-01
Release date:2021-12-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Guided Design of d-Galactal Derivatives with High Affinity and Selectivity for the Galectin-8 N-Terminal Domain.
Acs Med.Chem.Lett., 12, 2021
7P1M
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BU of 7p1m by Molmil
Galectin-8 N-terminal carbohydrate recognition domain in complex with benzimidazole D-galactal ligand
Descriptor: 2-[[(2R,3R,4R)-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2H-pyran-4-yl]oxymethyl]-3-methyl-benzimidazole-5-carboxylic acid, CHLORIDE ION, Galectin-8
Authors:Hassan, M, Hakansson, M, Nilsson, J.U, Kovacic, R.
Deposit date:2021-07-02
Release date:2021-12-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structure-Guided Design of d-Galactal Derivatives with High Affinity and Selectivity for the Galectin-8 N-Terminal Domain.
Acs Med.Chem.Lett., 12, 2021
7OVP
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BU of 7ovp by Molmil
Crystal structure of the chemotactic adaptor protein CheF
Descriptor: Adaptor protein CheF
Authors:Altegoer, F, Weiland, P, Grininger, M, Bange, G.
Deposit date:2021-06-15
Release date:2022-04-27
Last modified:2022-06-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural insights into the mechanism of archaellar rotational switching.
Nat Commun, 13, 2022
6OXT
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BU of 6oxt by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR-84
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate, Protease NL4-3, SULFATE ION
Authors:Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2019-05-14
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.861 Å)
Cite:HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
6OY0
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BU of 6oy0 by Molmil
HIV-1 Protease NL4-3 WT in Complex with LR2-21
Descriptor: (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{({4-[(1S)-1,2-dihydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, Protease NL4-3, SULFATE ION
Authors:Lockbaum, G.J, Rusere, L.N, Lee, S.K, Henes, M, Kosovrasti, K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2019-05-14
Release date:2019-08-21
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:HIV-1 Protease Inhibitors Incorporating Stereochemically Defined P2' Ligands To Optimize Hydrogen Bonding in the Substrate Envelope.
J.Med.Chem., 62, 2019
1GSU
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BU of 1gsu by Molmil
AN AVIAN CLASS-MU GLUTATHIONE S-TRANSFERASE, CGSTM1-1 AT 1.94 ANGSTROM RESOLUTION
Descriptor: CLASS-MU GLUTATHIONE S-TRANSFERASE, S-HEXYLGLUTATHIONE
Authors:Sun, Y.-J, Kuan, C, Tam, M.F, Hsiao, C.-D.
Deposit date:1997-09-02
Release date:1998-03-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:The three-dimensional structure of an avian class-mu glutathione S-transferase, cGSTM1-1 at 1.94 A resolution.
J.Mol.Biol., 278, 1998
1H6V
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BU of 1h6v by Molmil
Mammalian thioredoxin reductase
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, THIOREDOXIN REDUCTASE
Authors:Sandalova, T, Zhong, L, Lindqvist, Y, Holmgren, A, Schneider, G.
Deposit date:2001-06-27
Release date:2001-08-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Three-Dimensional Structure of a Mammalian Thioredoxin Reductase: Implication for Mechanism and Evolution of a Selenocysteine Dependent Enzyme
Proc.Natl.Acad.Sci.USA, 98, 2001
1HIZ
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BU of 1hiz by Molmil
Xylanase T6 (Xt6) from Bacillus Stearothermophilus
Descriptor: ENDO-1,4-BETA-XYLANASE, SULFATE ION, alpha-D-galactopyranose, ...
Authors:Sainz, G, Tepplitsky, A, Stojanoff, V, Thompson, A, Shoham, Y, Shoham, G.
Deposit date:2001-01-05
Release date:2002-01-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure Determination of the Extracellular Xylanase from Geobacillus Stearothermophilus by Selenomethionyl MAD Phasing
Acta Crystallogr.,Sect.D, 60, 2004
1ESG
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BU of 1esg by Molmil
RESTRICTION ENDONUCLEASE BAMHI BOUND TO A NON-SPECIFIC DNA.
Descriptor: DNA (5'-D(*TP*GP*AP*AP*TP*CP*CP*A)-3'), DNA (5'-D(*TP*GP*GP*AP*TP*TP*CP*A)-3'), TYPE II RESTRICTION ENZYME BAMHI
Authors:Viadiu, H, Aggarwal, A.K.
Deposit date:2000-04-09
Release date:2000-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of BamHI bound to nonspecific DNA: a model for DNA sliding.
Mol.Cell, 5, 2000
1EED
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BU of 1eed by Molmil
X-ray crystallographic analysis of inhibition of endothiapepsin by cyclohexyl renin inhibitors
Descriptor: (2S)-2-[[(3S,4S)-5-cyclohexyl-4-[[(4S,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanyl-6-phenyl-hexanoyl]amino]-3-oxidanyl-pentanoyl]amino]-4-methyl-pentanoic acid, ENDOTHIAPEPSIN
Authors:Blundell, T.L, Frazao, C, Cooper, J.B.
Deposit date:1992-06-15
Release date:1994-01-31
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray crystallographic analysis of inhibition of endothiapepsin by cyclohexyl renin inhibitors.
Biochemistry, 31, 1992
8P8G
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BU of 8p8g by Molmil
Nitrogenase MoFe protein from A. vinelandii beta double mutant D353G/D357G
Descriptor: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ...
Authors:Maslac, N, Wagner, T.
Deposit date:2023-06-01
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The Mononuclear Metal-Binding Site of Mo-Nitrogenase Is Not Required for Activity.
Jacs Au, 3, 2023
4KPR
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BU of 4kpr by Molmil
Tetrameric form of rat selenoprotein thioredoxin reductase 1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, SULFITE ION, ...
Authors:Lindqvist, Y, Sandalova, T, Xu, J, Arner, E.
Deposit date:2013-05-14
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Trp114 residue of thioredoxin reductase 1 is an electron relay sensor for oxidative stress
To be Published, 2013
1E94
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BU of 1e94 by Molmil
HslV-HslU from E.coli
Descriptor: HEAT SHOCK PROTEIN HSLU, HEAT SHOCK PROTEIN HSLV, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Song, H.K, Hartmann, C, Ravishankar, R, Bochtler, M.
Deposit date:2000-10-07
Release date:2000-11-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mutational Studies on Hslu and its Docking Mode with Hslv
Proc.Natl.Acad.Sci.USA, 97, 2000
1EQW
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BU of 1eqw by Molmil
CRYSTAL STRUCTURE OF SALMONELLA TYPHIMURIUM CU,ZN SUPEROXIDE DISMUTASE
Descriptor: COPPER (II) ION, CU,ZN SUPEROXIDE DISMUTASE, ZINC ION
Authors:Pesce, A, Battistoni, A, Stroppolo, M.E, Polizio, F, Nardini, M, Kroll, J.S, Langford, P.R, O'Neill, P, Sette, M, Desideri, A, Bolognesi, M.
Deposit date:2000-04-06
Release date:2000-09-08
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Functional and crystallographic characterization of Salmonella typhimurium Cu,Zn superoxide dismutase coded by the sodCI virulence gene.
J.Mol.Biol., 302, 2000
8PPS
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BU of 8pps by Molmil
Dimeric RbdA EAL, in apo state
Descriptor: 1,2-ETHANEDIOL, BETA-MERCAPTOETHANOL, EAL domain-containing protein, ...
Authors:Cordery, C.R, Maly, M, Walsh, M.A, Tews, I.
Deposit date:2023-07-08
Release date:2024-05-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Phosphodiesterase activation in the biofilm dispersal protein RbdA and relationship to the biofilm formation protein PA2072 of similar architecture
To Be Published
8PVL
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BU of 8pvl by Molmil
Chaetomium thermophilum pre-60S State 7 - pre-5S rotation lacking Utp30/ITS2 - composite structure
Descriptor: 26S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Thoms, M, Cheng, J, Denk, T, Berninghausen, O, Beckmann, R.
Deposit date:2023-07-17
Release date:2023-12-06
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (2.19 Å)
Cite:Structural insights into coordinating 5S RNP rotation with ITS2 pre-RNA processing during ribosome formation.
Embo Rep., 24, 2023
8PVK
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BU of 8pvk by Molmil
Chaetomium thermophilum pre-60S State 5 - pre-5S rotation - L1 inward - composite structure
Descriptor: 26S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Thoms, M, Cheng, J, Denk, T, Berninghausen, O, Beckmann, R.
Deposit date:2023-07-17
Release date:2023-12-06
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (2.55 Å)
Cite:Structural insights into coordinating 5S RNP rotation with ITS2 pre-RNA processing during ribosome formation.
Embo Rep., 24, 2023
8PV8
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BU of 8pv8 by Molmil
Chaetomium thermophilum pre-60S State 4 - post-5S rotation with Rix1 complex without Foot - composite structure
Descriptor: 26S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Thoms, M, Cheng, J, Denk, T, Berninghausen, O, Beckmann, R.
Deposit date:2023-07-17
Release date:2024-01-10
Last modified:2024-01-17
Method:ELECTRON MICROSCOPY (2.91 Å)
Cite:Structural insights into coordinating 5S RNP rotation with ITS2 pre-RNA processing during ribosome formation.
Embo Rep., 24, 2023
8PO2
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BU of 8po2 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFRinsNPG [V948R]
Descriptor: 1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide, Epidermal growth factor receptor
Authors:Hargreaves, D.
Deposit date:2023-07-03
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PNZ
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BU of 8pnz by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 16 bound to EGFR
Descriptor: 1-[(3~{S})-3-[4-(6,7-dimethoxyquinazolin-4-yl)-3-(3-methoxyphenyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one, Epidermal growth factor receptor
Authors:Hargreaves, D.
Deposit date:2023-07-03
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024

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